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	202.2
[M+Na]+	429.22610	207.2
[M-H]-	405.22960	206.8
[M+NH4]+	424.27070	212.3
[M+K]+	445.20004	201.2
[M+H-H2O]+	389.23414	191.5
[M+HCOO]-	451.23508	223.2
[M+CH3COO]-	465.25073	230.6
[M+Na-2H]-	427.21155	203.1
[M]+	406.23633	206.4
[M]-	406.23743	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.24416

202.2

[M+Na]+

429.22610

207.2

[M-H]-

405.22960

206.8

[M+NH4]+

424.27070

212.3

[M+K]+

445.20004

201.2

[M+H-H2O]+

389.23414

191.5

[M+HCOO]-

451.23508

223.2

[M+CH3COO]-

465.25073

230.6

[M+Na-2H]-

427.21155

203.1

[M]+

406.23633

206.4

[M]-

406.23743

206.4

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

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