CID 5272011

Chembl68503

Structural Information

Molecular Formula
C16H15N5O
SMILES
C1=CC=C2C(=C1)N=C(N2CCO)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C16H15N5O/c22-10-9-20-14-7-3-1-5-12(14)17-16(20)11-21-15-8-4-2-6-13(15)18-19-21/h1-8,22H,9-11H2
InChIKey
ICXURNPGRFVMDV-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

293.12766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13494 166.9
[M+Na]+ 316.11688 179.4
[M-H]- 292.12038 169.4
[M+NH4]+ 311.16148 180.7
[M+K]+ 332.09082 172.5
[M+H-H2O]+ 276.12492 156.8
[M+HCOO]- 338.12586 186.5
[M+CH3COO]- 352.14151 178.4
[M+Na-2H]- 314.10233 172.6
[M]+ 293.12711 172.0
[M]- 293.12821 172.0
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

patents stripe