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

26
Patents

467.3148 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.32208 215.3
[M+Na]+ 490.30402 218.2
[M-H]- 466.30752 222.9
[M+NH4]+ 485.34862 223.6
[M+K]+ 506.27796 211.6
[M+H-H2O]+ 450.31206 211.6
[M+HCOO]- 512.31300 233.3
[M+CH3COO]- 526.32865 242.6
[M+Na-2H]- 488.28947 222.6
[M]+ 467.31425 218.1
[M]- 467.31535 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