CID 3055298

72248-51-2

Structural Information

Molecular Formula
C22H17N2O
SMILES
C1=CC=C(C=C1)C=[N+](C2=CC=CC=C2)/C(=C(/C3=CC=CC=C3)\O)/C#N
InChI
InChI=1S/C22H16N2O/c23-16-21(22(25)19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)17-18-10-4-1-5-11-18/h1-15,17H/p+1/b22-21-,24-17?
InChIKey
CMJPXAPGQDPXAF-FRPVMLRBSA-O
Compound name
benzylidene-[(Z)-1-cyano-2-hydroxy-2-phenylethenyl]-phenylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1341 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14138 194.8
[M+Na]+ 348.12332 200.7
[M-H]- 324.12682 200.9
[M+NH4]+ 343.16792 204.8
[M+K]+ 364.09726 187.1
[M+H-H2O]+ 308.13136 181.0
[M+HCOO]- 370.13230 211.6
[M+CH3COO]- 384.14795 212.6
[M+Na-2H]- 346.10877 197.4
[M]+ 325.13355 184.6
[M]- 325.13465 184.6
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.