CID 16217345

N-methyl-1h-1,2,3-benzotriazole-5-carboxamide

Structural Information

Molecular Formula
C8H8N4O
SMILES
CNC(=O)C1=CC2=NNN=C2C=C1
InChI
InChI=1S/C8H8N4O/c1-9-8(13)5-2-3-6-7(4-5)11-12-10-6/h2-4H,1H3,(H,9,13)(H,10,11,12)
InChIKey
FQVIETWSZAGFSK-UHFFFAOYSA-N
Compound name
N-methyl-2H-benzotriazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

176.06981 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 134.5
[M+Na]+ 199.05903 144.5
[M-H]- 175.06253 134.6
[M+NH4]+ 194.10363 152.7
[M+K]+ 215.03297 141.1
[M+H-H2O]+ 159.06707 126.9
[M+HCOO]- 221.06801 156.6
[M+CH3COO]- 235.08366 147.6
[M+Na-2H]- 197.04448 143.0
[M]+ 176.06926 134.5
[M]- 176.07036 134.5
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