CID 116810

70693-50-4

Structural Information

Molecular Formula
C30H29N3O3
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)N=NC3=CC=CC=C3[N+](=O)[O-])O)C(C)(C)C4=CC=CC=C4
InChI
InChI=1S/C30H29N3O3/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)26(20-23)32-31-25-17-11-12-18-27(25)33(35)36/h5-20,34H,1-4H3
InChIKey
CZEIGGLJGJHNCD-UHFFFAOYSA-N
Compound name
2-[(2-nitrophenyl)diazenyl]-4,6-bis(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

479.2209 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.22818 218.2
[M+Na]+ 502.21012 220.6
[M-H]- 478.21362 231.2
[M+NH4]+ 497.25472 223.7
[M+K]+ 518.18406 211.5
[M+H-H2O]+ 462.21816 210.1
[M+HCOO]- 524.21910 240.3
[M+CH3COO]- 538.23475 241.1
[M+Na-2H]- 500.19557 225.2
[M]+ 479.22035 217.1
[M]- 479.22145 217.1
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