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

3
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 186.8
[M+Na]+ 378.178818 190.9
[M-H]- 354.182324 194.5
[M+NH4]+ 373.223423 198.9
[M+K]+ 394.152758 184.1
[M+H-H2O]+ 338.186860 182.1
[M+HCOO]- 400.187801 211.8
[M+CH3COO]- 414.203451 220.4
[M+Na-2H]- 376.164266 188.8
[M]+ 355.18905142 187.9
[M]- 355.19014858 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