CID 15956479

3-[2-[(2-oxo-3h-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide

Structural Information

Molecular Formula
C18H16N8O
SMILES
C1=CC=C2C(=C1)NC(=O)N2CC3=NC4=CC=CC=C4N3CCC(=N)N=[N+]=[N-]
InChI
InChI=1S/C18H16N8O/c19-16(23-24-20)9-10-25-14-7-3-1-5-12(14)21-17(25)11-26-15-8-4-2-6-13(15)22-18(26)27/h1-8,19H,9-11H2,(H,22,27)
InChIKey
OKXNQWYRIMDMDP-UHFFFAOYSA-N
Compound name
3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15198 178.4
[M+Na]+ 383.13392 187.2
[M-H]- 359.13742 185.2
[M+NH4]+ 378.17852 190.2
[M+K]+ 399.10786 175.7
[M+H-H2O]+ 343.14196 171.9
[M+HCOO]- 405.14290 205.5
[M+CH3COO]- 419.15855 217.1
[M+Na-2H]- 381.11937 189.0
[M]+ 360.14415 178.8
[M]- 360.14525 178.8
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.