CID 88178

Einecs 243-202-6

Structural Information

Molecular Formula
C23H20ClN5O2
SMILES
C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C23H20ClN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2
InChIKey
VIVXNXDTARWBMT-UHFFFAOYSA-N
Compound name
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-phenylethyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.13055 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13783 216.0
[M+Na]+ 456.11977 221.9
[M-H]- 432.12327 224.7
[M+NH4]+ 451.16437 223.8
[M+K]+ 472.09371 211.0
[M+H-H2O]+ 416.12781 202.2
[M+HCOO]- 478.12875 236.1
[M+CH3COO]- 492.14440 242.2
[M+Na-2H]- 454.10522 218.7
[M]+ 433.13000 213.3
[M]- 433.13110 213.3
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

No patent data available for this compound.