CID 493040

Cambridge id 5181201

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C
InChI
InChI=1S/C17H16N4O2/c1-10(22)18-13-5-3-12(4-6-13)17-20-15-8-7-14(19-11(2)23)9-16(15)21-17/h3-9H,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKey
GRHQVLUJEBYILF-UHFFFAOYSA-N
Compound name
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

308.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 170.7
[M+Na]+ 331.11654 178.7
[M-H]- 307.12004 175.5
[M+NH4]+ 326.16114 184.4
[M+K]+ 347.09048 173.4
[M+H-H2O]+ 291.12458 161.9
[M+HCOO]- 353.12552 192.8
[M+CH3COO]- 367.14117 207.8
[M+Na-2H]- 329.10199 175.0
[M]+ 308.12677 171.0
[M]- 308.12787 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe