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

23
Patents

238.08546 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.092736 150.4
[M+Na]+ 261.074678 160.0
[M-H]- 237.078184 154.8
[M+NH4]+ 256.119283 166.2
[M+K]+ 277.048618 155.3
[M+H-H2O]+ 221.082720 140.9
[M+HCOO]- 283.083661 173.6
[M+CH3COO]- 297.099311 162.9
[M+Na-2H]- 259.060126 159.1
[M]+ 238.08491142 151.3
[M]- 238.08600858 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