CID 4420145

N-phenyl-1h-1,2,3-benzotriazole-1-carboxamide

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C13H10N4O/c18-13(14-10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15-16-17/h1-9H,(H,14,18)
InChIKey
ZSQPWIRBCUQHBN-UHFFFAOYSA-N
Compound name
N-phenylbenzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

238.08546 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 150.4
[M+Na]+ 261.07468 160.0
[M-H]- 237.07818 154.8
[M+NH4]+ 256.11928 166.2
[M+K]+ 277.04862 155.3
[M+H-H2O]+ 221.08272 140.9
[M+HCOO]- 283.08366 173.6
[M+CH3COO]- 297.09931 162.9
[M+Na-2H]- 259.06013 159.1
[M]+ 238.08491 151.3
[M]- 238.08601 151.3
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

patents stripe