CID 103927

2-[(2-nitrophenyl)azo]-4-(1,1,3,3-tetramethylbutyl)phenol

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N=NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C20H25N3O3/c1-19(2,3)13-20(4,5)14-10-11-18(24)16(12-14)22-21-15-8-6-7-9-17(15)23(25)26/h6-12,24H,13H2,1-5H3
InChIKey
HOWCUYQDKCPWDV-UHFFFAOYSA-N
Compound name
2-[(2-nitrophenyl)diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

355.1896 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 184.7
[M+Na]+ 378.17882 189.5
[M-H]- 354.18232 192.8
[M+NH4]+ 373.22342 197.1
[M+K]+ 394.15276 182.7
[M+H-H2O]+ 338.18686 180.9
[M+HCOO]- 400.18780 208.7
[M+CH3COO]- 414.20345 217.7
[M+Na-2H]- 376.16427 192.7
[M]+ 355.18905 185.7
[M]- 355.19015 185.7
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