CID 15956457

2-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]acetimidoyl azide

Structural Information

Molecular Formula
C22H24N8O
SMILES
CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC(=N)N=[N+]=[N-]
InChI
InChI=1S/C22H24N8O/c1-15(2)11-12-28-17-8-4-3-7-16(17)25-21(28)14-30-19-10-6-5-9-18(19)29(22(30)31)13-20(23)26-27-24/h3-10,15,23H,11-14H2,1-2H3
InChIKey
RTJRXCYWKSNJGL-UHFFFAOYSA-N
Compound name
2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]ethanimidoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.2073 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21458 199.6
[M+Na]+ 439.19652 207.4
[M-H]- 415.20002 207.3
[M+NH4]+ 434.24112 209.9
[M+K]+ 455.17046 196.3
[M+H-H2O]+ 399.20456 192.4
[M+HCOO]- 461.20550 225.6
[M+CH3COO]- 475.22115 232.9
[M+Na-2H]- 437.18197 206.5
[M]+ 416.20675 202.6
[M]- 416.20785 202.6
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

No patent data available for this compound.