CID 1551294

Nsc174241

Structural Information

Molecular Formula
C21H14N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C(\C#N)/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H14N2O2/c22-15-20(19-10-12-21(13-11-19)23(24)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14H/b20-14+
InChIKey
SRQUSBDYBAJSRZ-XSFVSMFZSA-N
Compound name
(Z)-2-(4-nitrophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10553 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11281 190.6
[M+Na]+ 349.09475 198.1
[M-H]- 325.09825 197.2
[M+NH4]+ 344.13935 200.9
[M+K]+ 365.06869 185.8
[M+H-H2O]+ 309.10279 178.6
[M+HCOO]- 371.10373 209.5
[M+CH3COO]- 385.11938 213.1
[M+Na-2H]- 347.08020 193.2
[M]+ 326.10498 182.0
[M]- 326.10608 182.0
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.