CID 93481

84268-33-7

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
InChIKey
UJRDRFZCRQNLJM-UHFFFAOYSA-N
Compound name
methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

15802
Patents

353.17395 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.181226 188.0
[M+Na]+ 376.163168 197.4
[M-H]- 352.166674 191.4
[M+NH4]+ 371.207773 199.5
[M+K]+ 392.137108 192.4
[M+H-H2O]+ 336.171210 178.9
[M+HCOO]- 398.172151 204.8
[M+CH3COO]- 412.187801 212.8
[M+Na-2H]- 374.148616 190.6
[M]+ 353.17340142 193.5
[M]- 353.17449858 193.5
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

patents stripe