CID 116809

2-(2-hydroxy-3,5-bis(tert-octyl)phenyl)benzotriazole

Structural Information

Molecular Formula
C28H41N3O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C28H41N3O/c1-25(2,3)17-27(7,8)19-15-20(28(9,10)18-26(4,5)6)24(32)23(16-19)31-29-21-13-11-12-14-22(21)30-31/h11-16,32H,17-18H2,1-10H3
InChIKey
XDNLOGRBAYJSMQ-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

563
Patents

435.32495 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.33223 218.4
[M+Na]+ 458.31417 225.5
[M-H]- 434.31767 221.4
[M+NH4]+ 453.35877 227.1
[M+K]+ 474.28811 219.8
[M+H-H2O]+ 418.32221 210.1
[M+HCOO]- 480.32315 227.8
[M+CH3COO]- 494.33880 233.5
[M+Na-2H]- 456.29962 221.5
[M]+ 435.32440 223.4
[M]- 435.32550 223.4
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