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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.