CID 116808

70693-48-0

Structural Information

Molecular Formula
C28H41N3O3
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N=NC2=CC=CC=C2[N+](=O)[O-])O)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C28H41N3O3/c1-25(2,3)17-27(7,8)19-15-20(28(9,10)18-26(4,5)6)24(32)22(16-19)30-29-21-13-11-12-14-23(21)31(33)34/h11-16,32H,17-18H2,1-10H3
InChIKey
KKFZEFWDPHCNGB-UHFFFAOYSA-N
Compound name
2-[(2-nitrophenyl)diazenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

467.3148 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.322076 215.3
[M+Na]+ 490.304018 218.2
[M-H]- 466.307524 222.9
[M+NH4]+ 485.348623 223.6
[M+K]+ 506.277958 211.6
[M+H-H2O]+ 450.312060 211.6
[M+HCOO]- 512.313001 233.3
[M+CH3COO]- 526.328651 242.6
[M+Na-2H]- 488.289466 222.6
[M]+ 467.31425142 218.1
[M]- 467.31534858 218.1
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