CID 15959244

Benzotriazole ester, 15

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N4O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9,15H2
InChIKey
PPIIXUVTRPOFDW-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.1011 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 155.5
[M+Na]+ 275.09032 165.4
[M-H]- 251.09382 159.6
[M+NH4]+ 270.13492 170.7
[M+K]+ 291.06426 160.2
[M+H-H2O]+ 235.09836 146.1
[M+HCOO]- 297.09930 177.8
[M+CH3COO]- 311.11495 167.6
[M+Na-2H]- 273.07577 161.9
[M]+ 252.10055 156.4
[M]- 252.10165 156.4
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

No patent data available for this compound.