PubChemLite - Db383 (C26H35N7)

Structural Information

Molecular Formula

SMILES

CN(C)CCN=C(C1=CC=CC(=C1)C2=CC=C(N2)C3=CC(=CC=C3)C(=NCCN(C)C)N)N

InChI

InChI=1S/C26H35N7/c1-32(2)15-13-29-25(27)21-9-5-7-19(17-21)23-11-12-24(31-23)20-8-6-10-22(18-20)26(28)30-14-16-33(3)4/h5-12,17-18,31H,13-16H2,1-4H3,(H2,27,29)(H2,28,30)

InChIKey

VWYHTRFKMLNNLY-UHFFFAOYSA-N

Compound name

N'-[2-(dimethylamino)ethyl]-3-[5-[3-[N'-[2-(dimethylamino)ethyl]carbamimidoyl]phenyl]-1H-pyrrol-2-yl]benzenecarboximidamide

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]+	446.30266	212.7
[M+Na]+	468.28460	213.3
[M-H]-	444.28810	223.6
[M+NH4]+	463.32920	221.3
[M+K]+	484.25854	210.1
[M+H-H2O]+	428.29264	200.3
[M+HCOO]-	490.29358	239.4
[M+CH3COO]-	504.30923	256.4
[M+Na-2H]-	466.27005	210.8
[M]+	445.29483	211.6
[M]-	445.29593	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.30266

212.7

[M+Na]+

468.28460

213.3

[M-H]-

444.28810

223.6

[M+NH4]+

463.32920

221.3

[M+K]+

484.25854

210.1

[M+H-H2O]+

428.29264

200.3

[M+HCOO]-

490.29358

239.4

[M+CH3COO]-

504.30923

256.4

[M+Na-2H]-

466.27005

210.8

[M]+

445.29483

211.6

[M]-

445.29593

211.6

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

Db383

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe