PubChemLite - (r-(r*,r*))-3,3'-dithiobis(2-amino-n-2-naphthylpropionamide) (C26H26N4O2S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CSSCC(C(=O)NC3=CC4=CC=CC=C4C=C3)N)N

InChI

InChI=1S/C26H26N4O2S2/c27-23(25(31)29-21-11-9-17-5-1-3-7-19(17)13-21)15-33-34-16-24(28)26(32)30-22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-24H,15-16,27-28H2,(H,29,31)(H,30,32)

InChIKey

REEVAJUPLLWYBH-UHFFFAOYSA-N

Compound name

2-amino-3-[[2-amino-3-(naphthalen-2-ylamino)-3-oxopropyl]disulfanyl]-N-naphthalen-2-ylpropanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	491.15700	204.1
[M+Na]+	513.13894	206.1
[M-H]-	489.14244	208.4
[M+NH4]+	508.18354	211.2
[M+K]+	529.11288	198.8
[M+H-H2O]+	473.14698	195.2
[M+HCOO]-	535.14792	213.8
[M+CH3COO]-	549.16357	209.4
[M+Na-2H]-	511.12439	208.4
[M]+	490.14917	204.7
[M]-	490.15027	204.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.15700

204.1

[M+Na]+

513.13894

206.1

[M-H]-

489.14244

208.4

[M+NH4]+

508.18354

211.2

[M+K]+

529.11288

198.8

[M+H-H2O]+

473.14698

195.2

[M+HCOO]-

535.14792

213.8

[M+CH3COO]-

549.16357

209.4

[M+Na-2H]-

511.12439

208.4

[M]+

490.14917

204.7

[M]-

490.15027

204.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(r-(r,r))-3,3'-dithiobis(2-amino-n-2-naphthylpropionamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe