PubChemLite - H-gly-pro-leu-bna.hcl (C23H30N4O3)

Structural Information

Molecular Formula

SMILES

CC(C)CC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C3CCCN3C(=O)CN

InChI

InChI=1S/C23H30N4O3/c1-15(2)12-19(26-23(30)20-8-5-11-27(20)21(28)14-24)22(29)25-18-10-9-16-6-3-4-7-17(16)13-18/h3-4,6-7,9-10,13,15,19-20H,5,8,11-12,14,24H2,1-2H3,(H,25,29)(H,26,30)

InChIKey

UFLMFGGTOSXVIA-UHFFFAOYSA-N

Compound name

1-(2-aminoacetyl)-N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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]+	411.23906	200.4
[M+Na]+	433.22100	200.4
[M-H]-	409.22450	204.8
[M+NH4]+	428.26560	210.3
[M+K]+	449.19494	197.5
[M+H-H2O]+	393.22904	191.2
[M+HCOO]-	455.22998	216.7
[M+CH3COO]-	469.24563	233.4
[M+Na-2H]-	431.20645	196.4
[M]+	410.23123	196.5
[M]-	410.23233	196.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.23906

200.4

[M+Na]+

433.22100

200.4

[M-H]-

409.22450

204.8

[M+NH4]+

428.26560

210.3

[M+K]+

449.19494

197.5

[M+H-H2O]+

393.22904

191.2

[M+HCOO]-

455.22998

216.7

[M+CH3COO]-

469.24563

233.4

[M+Na-2H]-

431.20645

196.4

[M]+

410.23123

196.5

[M]-

410.23233

196.5

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

H-gly-pro-leu-bna.hcl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe