CID 6435587

N-(2-(4,4-dicyano-1,3-butadienyl)-5-methylphenyl)benzamide

Structural Information

Molecular Formula
C20H15N3O
SMILES
CC1=CC(=C(C=C1)/C=C\C=C(C#N)C#N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H15N3O/c1-15-10-11-17(9-5-6-16(13-21)14-22)19(12-15)23-20(24)18-7-3-2-4-8-18/h2-12H,1H3,(H,23,24)/b9-5-
InChIKey
DGRSULZUDXQOQA-UITAMQMPSA-N
Compound name
N-[2-[(1Z)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12152 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12880 197.7
[M+Na]+ 336.11074 206.3
[M+NH4]+ 331.15534 197.4
[M+K]+ 352.08468 194.2
[M-H]- 312.11424 188.9
[M+Na-2H]- 334.09619 196.9
[M]+ 313.12097 195.1
[M]- 313.12207 195.1
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.