CID 135508499

73936-86-4

Structural Information

Molecular Formula
C29H35N3O3
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N=NC2=CC=CC=C2[N+](=O)[O-])O)C(C)(C)C3=CC=CC=C3
InChI
InChI=1S/C29H35N3O3/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)24(18-21)31-30-23-15-11-12-16-25(23)32(34)35/h8-18,33H,19H2,1-7H3
InChIKey
AUVLKOXFZKMLRL-UHFFFAOYSA-N
Compound name
2-[(2-nitrophenyl)diazenyl]-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

22
Patents

473.26785 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.27513 217.3
[M+Na]+ 496.25707 219.9
[M-H]- 472.26057 227.7
[M+NH4]+ 491.30167 224.3
[M+K]+ 512.23101 212.1
[M+H-H2O]+ 456.26511 211.4
[M+HCOO]- 518.26605 237.5
[M+CH3COO]- 532.28170 241.8
[M+Na-2H]- 494.24252 224.4
[M]+ 473.26730 218.3
[M]- 473.26840 218.3
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