CID 15956474

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

Structural Information

Molecular Formula
C20H20N8O
SMILES
CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CC(=N)N=[N+]=[N-]
InChI
InChI=1S/C20H20N8O/c1-13(2)28-17-10-6-5-9-16(17)27(20(28)29)12-19-23-14-7-3-4-8-15(14)26(19)11-18(21)24-25-22/h3-10,13,21H,11-12H2,1-2H3
InChIKey
CPGJGTIPHJSLTK-UHFFFAOYSA-N
Compound name
2-[2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]ethanimidoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.176 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18328 190.6
[M+Na]+ 411.16522 199.4
[M-H]- 387.16872 198.8
[M+NH4]+ 406.20982 202.1
[M+K]+ 427.13916 188.7
[M+H-H2O]+ 371.17326 183.8
[M+HCOO]- 433.17420 217.3
[M+CH3COO]- 447.18985 227.1
[M+Na-2H]- 409.15067 198.5
[M]+ 388.17545 193.1
[M]- 388.17655 193.1
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.