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]+ 266.09238 158.8
[M+Na]+ 288.07432 167.6
[M-H]- 264.07782 161.7
[M+NH4]+ 283.11892 172.8
[M+K]+ 304.04826 162.3
[M+H-H2O]+ 248.08236 149.6
[M+HCOO]- 310.08330 178.1
[M+CH3COO]- 324.09895 170.1
[M+Na-2H]- 286.05977 164.2
[M]+ 265.08455 159.4
[M]- 265.08565 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.