CID 3086183

84268-08-6

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C
InChI
InChI=1S/C25H33N3O3/c1-5-6-7-10-15-31-23(29)14-13-18-16-19(25(2,3)4)24(30)22(17-18)28-26-20-11-8-9-12-21(20)27-28/h8-9,11-12,16-17,30H,5-7,10,13-15H2,1-4H3
InChIKey
LUZAAKNZQSYDKP-UHFFFAOYSA-N
Compound name
hexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

423.2522 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 208.0
[M+Na]+ 446.24142 220.6
[M+NH4]+ 441.28602 212.6
[M+K]+ 462.21536 215.4
[M-H]- 422.24492 208.9
[M+Na-2H]- 444.22687 212.4
[M]+ 423.25165 210.0
[M]- 423.25275 210.0
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

patents stripe