CID 15869330

3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](2-phenylethyl)amino]propanenitrile

Structural Information

Molecular Formula
C23H21N5O2
SMILES
C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H21N5O2/c24-16-4-17-27(18-15-19-5-2-1-3-6-19)22-11-7-20(8-12-22)25-26-21-9-13-23(14-10-21)28(29)30/h1-3,5-14H,4,15,17-18H2
InChIKey
MCQSJZKGLUGINC-UHFFFAOYSA-N
Compound name
3-[4-[(4-nitrophenyl)diazenyl]-N-(2-phenylethyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

399.16953 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17681 204.1
[M+Na]+ 422.15875 217.2
[M+NH4]+ 417.20335 208.1
[M+K]+ 438.13269 206.5
[M-H]- 398.16225 206.2
[M+Na-2H]- 420.14420 211.4
[M]+ 399.16898 205.7
[M]- 399.17008 205.7
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