CID 6482212

N-(2-methylbenzotriazol-5-yl)benzamide

Structural Information

Molecular Formula
C14H12N4O
SMILES
CN1N=C2C=CC(=CC2=N1)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4O/c1-18-16-12-8-7-11(9-13(12)17-18)15-14(19)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,19)
InChIKey
IXXCZBOUVDUPBC-UHFFFAOYSA-N
Compound name
N-(2-methylbenzotriazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1011 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 155.4
[M+Na]+ 275.09032 165.4
[M-H]- 251.09382 160.0
[M+NH4]+ 270.13492 170.9
[M+K]+ 291.06426 160.5
[M+H-H2O]+ 235.09836 145.9
[M+HCOO]- 297.09930 178.3
[M+CH3COO]- 311.11495 167.8
[M+Na-2H]- 273.07577 162.8
[M]+ 252.10055 157.2
[M]- 252.10165 157.2
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.