CID 15956458

4-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]butanimidoyl azide

Structural Information

Molecular Formula
C24H28N8O
SMILES
CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCC(=N)N=[N+]=[N-]
InChI
InChI=1S/C24H28N8O/c1-17(2)13-15-30-19-9-4-3-8-18(19)27-23(30)16-32-21-11-6-5-10-20(21)31(24(32)33)14-7-12-22(25)28-29-26/h3-6,8-11,17,25H,7,12-16H2,1-2H3
InChIKey
CIYFCMRFEWEJNB-UHFFFAOYSA-N
Compound name
4-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]butanimidoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.23862 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.24590 208.5
[M+Na]+ 467.22784 215.3
[M-H]- 443.23134 215.8
[M+NH4]+ 462.27244 217.6
[M+K]+ 483.20178 203.9
[M+H-H2O]+ 427.23588 200.8
[M+HCOO]- 489.23682 233.7
[M+CH3COO]- 503.25247 238.6
[M+Na-2H]- 465.21329 214.4
[M]+ 444.23807 212.0
[M]- 444.23917 212.0
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

No patent data available for this compound.