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

88
Patents

355.1896 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.196876 184.7
[M+Na]+ 378.178818 189.5
[M-H]- 354.182324 192.8
[M+NH4]+ 373.223423 197.1
[M+K]+ 394.152758 182.7
[M+H-H2O]+ 338.186860 180.9
[M+HCOO]- 400.187801 208.7
[M+CH3COO]- 414.203451 217.7
[M+Na-2H]- 376.164266 192.7
[M]+ 355.18905142 185.7
[M]- 355.19014858 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