PubChemLite - Sb-623 (C24H30N4O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)/C=C/C(=O)NO)N=C1CCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2/c1-3-27(4-2)16-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-6-5-7-9-19/h5-10,12-13,15,18,30H,3-4,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+

InChIKey

FFXUDLUXUIJFSS-NTCAYCPXSA-N

Compound name

(E)-3-[1-[2-(diethylamino)ethyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

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]+	407.24416	202.5
[M+Na]+	429.22610	213.6
[M+NH4]+	424.27070	207.7
[M+K]+	445.20004	207.6
[M-H]-	405.22960	205.7
[M+Na-2H]-	427.21155	207.9
[M]+	406.23633	204.7
[M]-	406.23743	204.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.24416

202.5

[M+Na]+

429.22610

213.6

[M+NH4]+

424.27070

207.7

[M+K]+

445.20004

207.6

[M-H]-

405.22960

205.7

[M+Na-2H]-

427.21155

207.9

[M]+

406.23633

204.7

[M]-

406.23743

204.7

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

Sb-623

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe