CID 15956480

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

Structural Information

Molecular Formula
C19H18N8O
SMILES
CN1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCC(=N)N=[N+]=[N-]
InChI
InChI=1S/C19H18N8O/c1-25-15-8-4-5-9-16(15)27(19(25)28)12-18-22-13-6-2-3-7-14(13)26(18)11-10-17(20)23-24-21/h2-9,20H,10-12H2,1H3
InChIKey
FKFPLBJTGBFYIL-UHFFFAOYSA-N
Compound name
3-[2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.16037 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16765 185.9
[M+Na]+ 397.14959 195.5
[M-H]- 373.15309 194.0
[M+NH4]+ 392.19419 198.0
[M+K]+ 413.12353 184.4
[M+H-H2O]+ 357.15763 179.0
[M+HCOO]- 419.15857 213.9
[M+CH3COO]- 433.17422 223.6
[M+Na-2H]- 395.13504 195.3
[M]+ 374.15982 188.6
[M]- 374.16092 188.6
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.