CID 6482213

4-chloro-n-(2-methylbenzotriazol-5-yl)benzamide

Structural Information

Molecular Formula
C14H11ClN4O
SMILES
CN1N=C2C=CC(=CC2=N1)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN4O/c1-19-17-12-7-6-11(8-13(12)18-19)16-14(20)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,20)
InChIKey
SGSDMYCQGMWNFR-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-methylbenzotriazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06213 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06941 162.6
[M+Na]+ 309.05135 174.2
[M-H]- 285.05485 167.2
[M+NH4]+ 304.09595 177.9
[M+K]+ 325.02529 167.7
[M+H-H2O]+ 269.05939 153.5
[M+HCOO]- 331.06033 180.7
[M+CH3COO]- 345.07598 174.8
[M+Na-2H]- 307.03680 168.6
[M]+ 286.06158 166.8
[M]- 286.06268 166.8
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.