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 191.2
[M+Na]+ 336.11074 199.8
[M-H]- 312.11424 194.9
[M+NH4]+ 331.15534 199.9
[M+K]+ 352.08468 192.3
[M+H-H2O]+ 296.11878 174.2
[M+HCOO]- 358.11972 202.3
[M+CH3COO]- 372.13537 231.8
[M+Na-2H]- 334.09619 189.1
[M]+ 313.12097 181.6
[M]- 313.12207 181.6
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.