CID 135666422

Einecs 235-421-0

Structural Information

Molecular Formula
C24H17N5O5
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C24H17N5O5/c30-24-13-10-19(14-21(24)16-4-2-1-3-5-16)27-26-18-8-6-17(7-9-18)25-22-12-11-20(28(31)32)15-23(22)29(33)34/h1-15,25,30H
InChIKey
AMVDKIZZWFHBMC-UHFFFAOYSA-N
Compound name
4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

455.12296 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.13024 203.4
[M+Na]+ 478.11218 204.3
[M-H]- 454.11568 216.0
[M+NH4]+ 473.15678 207.7
[M+K]+ 494.08612 192.0
[M+H-H2O]+ 438.12022 198.5
[M+HCOO]- 500.12116 230.8
[M+CH3COO]- 514.13681 230.4
[M+Na-2H]- 476.09763 212.2
[M]+ 455.12241 199.3
[M]- 455.12351 199.3
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