CID 6463788

878427-72-6

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)O)N=N2
InChI
InChI=1S/C15H13N3O2/c19-15(20)12-6-7-14-13(10-12)16-17-18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
InChIKey
RIHSXTOHOLXPMB-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)benzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.108046 159.7
[M+Na]+ 290.089988 169.4
[M-H]- 266.093494 162.7
[M+NH4]+ 285.134593 174.0
[M+K]+ 306.063928 164.1
[M+H-H2O]+ 250.098030 150.4
[M+HCOO]- 312.098971 179.8
[M+CH3COO]- 326.114621 171.3
[M+Na-2H]- 288.075436 165.4
[M]+ 267.10022142 162.0
[M]- 267.10131858 162.0
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.