CID 6475346

(e)-2-(benzotriazol-1-yl)-3-phenylpropenoic acid

Structural Information

Molecular Formula
C15H11N3O2
SMILES
C1=CC=C(C=C1)/C=C(\C(=O)O)/N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C15H11N3O2/c19-15(20)14(10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-17-18/h1-10H,(H,19,20)/b14-10+
InChIKey
GYWUUDSKMPACGA-GXDHUFHOSA-N
Compound name
(E)-2-(benzotriazol-1-yl)-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.0851 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 158.8
[M+Na]+ 288.074318 167.6
[M-H]- 264.077824 161.7
[M+NH4]+ 283.118923 172.8
[M+K]+ 304.048258 162.3
[M+H-H2O]+ 248.082360 149.6
[M+HCOO]- 310.083301 178.1
[M+CH3COO]- 324.098951 170.1
[M+Na-2H]- 286.059766 164.2
[M]+ 265.08455142 159.4
[M]- 265.08564858 159.4
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.