CID 15956477

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

Structural Information

Molecular Formula
C22H22N8O
SMILES
CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCC(=N)N=[N+]=[N-]
InChI
InChI=1S/C22H22N8O/c1-15(2)30-19-11-6-5-10-18(19)29(22(30)31)14-21-25-16-8-3-4-9-17(16)28(21)13-7-12-20(23)26-27-24/h3-6,8-11,23H,1,7,12-14H2,2H3
InChIKey
IIROAJLUUNEECM-UHFFFAOYSA-N
Compound name
4-[2-[(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]butanimidoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.19165 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19893 199.2
[M+Na]+ 437.18087 207.3
[M-H]- 413.18437 207.0
[M+NH4]+ 432.22547 209.5
[M+K]+ 453.15481 195.6
[M+H-H2O]+ 397.18891 192.0
[M+HCOO]- 459.18985 225.3
[M+CH3COO]- 473.20550 232.1
[M+Na-2H]- 435.16632 206.1
[M]+ 414.19110 201.5
[M]- 414.19220 201.5
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.