CID 5272035

Chembl304094

Structural Information

Molecular Formula
C17H17N5
SMILES
CC(C)N1C2=CC=CC=C2N=C1CN3N=C4C=CC=CC4=N3
InChI
InChI=1S/C17H17N5/c1-12(2)22-16-10-6-5-9-15(16)18-17(22)11-21-19-13-7-3-4-8-14(13)20-21/h3-10,12H,11H2,1-2H3
InChIKey
QCRFUFPJGJIKSJ-UHFFFAOYSA-N
Compound name
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.1484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15568 169.2
[M+Na]+ 314.13762 181.4
[M-H]- 290.14112 172.9
[M+NH4]+ 309.18222 183.7
[M+K]+ 330.11156 175.0
[M+H-H2O]+ 274.14566 158.8
[M+HCOO]- 336.14660 188.6
[M+CH3COO]- 350.16225 180.8
[M+Na-2H]- 312.12307 173.5
[M]+ 291.14785 174.3
[M]- 291.14895 174.3
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.