CID 726179

N-(1h-benzotriazol-1-ylmethyl)benzamide

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1=CC=C(C=C1)C(=O)NCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H12N4O/c19-14(11-6-2-1-3-7-11)15-10-18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19)
InChIKey
CDZWFIDNOCWJDS-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

252.1011 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 155.2
[M+Na]+ 275.09032 169.6
[M+NH4]+ 270.13492 162.8
[M+K]+ 291.06426 164.2
[M-H]- 251.09382 158.5
[M+Na-2H]- 273.07577 164.5
[M]+ 252.10055 158.1
[M]- 252.10165 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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