CID 158619

84268-36-0

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C19H21N3O3/c1-19(2,3)13-10-12(8-9-17(23)24)11-16(18(13)25)22-20-14-6-4-5-7-15(14)21-22/h4-7,10-11,25H,8-9H2,1-3H3,(H,23,24)
InChIKey
OYGYNUPKLMDVHM-UHFFFAOYSA-N
Compound name
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1231
Patents

339.1583 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 181.6
[M+Na]+ 362.14752 194.9
[M+NH4]+ 357.19212 186.8
[M+K]+ 378.12146 191.5
[M-H]- 338.15102 182.2
[M+Na-2H]- 360.13297 187.0
[M]+ 339.15775 183.6
[M]- 339.15885 183.6
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

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