CID 9803353

73936-91-1

Structural Information

Molecular Formula
C29H35N3O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C4=CC=CC=C4
InChI
InChI=1S/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3
InChIKey
UZUNCLSDTUBVCN-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9558
Patents

441.278 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.28528 217.8
[M+Na]+ 464.26722 225.1
[M-H]- 440.27072 223.7
[M+NH4]+ 459.31182 225.3
[M+K]+ 480.24116 217.8
[M+H-H2O]+ 424.27526 207.4
[M+HCOO]- 486.27620 229.5
[M+CH3COO]- 500.29185 232.5
[M+Na-2H]- 462.25267 220.9
[M]+ 441.27745 220.8
[M]- 441.27855 220.8
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