CID 56766398

2-(1,5-diphenyl-1h-1,2,3-triazol-4-yl)acetic acid

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C16H13N3O2/c20-15(21)11-14-16(12-7-3-1-4-8-12)19(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)
InChIKey
QCEVJEHMLDUGLO-UHFFFAOYSA-N
Compound name
2-(1,5-diphenyltriazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 164.2
[M+Na]+ 302.08999 178.9
[M+NH4]+ 297.13459 170.9
[M+K]+ 318.06393 173.9
[M-H]- 278.09349 167.8
[M+Na-2H]- 300.07544 173.8
[M]+ 279.10022 167.2
[M]- 279.10132 167.2
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

No patent data available for this compound.