CID 136029257

111850-24-9

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 186.5
[M+Na]+ 378.17882 199.0
[M+NH4]+ 373.22342 193.1
[M+K]+ 394.15276 194.6
[M-H]- 354.18232 192.8
[M+Na-2H]- 376.16427 193.1
[M]+ 355.18905 189.9
[M]- 355.19015 189.9
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