CID 136029257

4-(4-nitrophenylazo)-2,6-di-sec-butyl-phenol

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CCC(C)C1=CC(=CC(=C1O)C(C)CC)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C20H25N3O3/c1-5-13(3)18-11-16(12-19(20(18)24)14(4)6-2)22-21-15-7-9-17(10-8-15)23(25)26/h7-14,24H,5-6H2,1-4H3
InChIKey
JCYAHFVUGYOYNR-UHFFFAOYSA-N
Compound name
2,6-di(butan-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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 186.8
[M+Na]+ 378.17882 190.9
[M-H]- 354.18232 194.5
[M+NH4]+ 373.22342 198.9
[M+K]+ 394.15276 184.1
[M+H-H2O]+ 338.18686 182.1
[M+HCOO]- 400.18780 211.8
[M+CH3COO]- 414.20345 220.4
[M+Na-2H]- 376.16427 188.8
[M]+ 355.18905 187.9
[M]- 355.19015 187.9
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