CID 6435587

100243-29-6

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]+ 314.128796 191.2
[M+Na]+ 336.110738 199.8
[M-H]- 312.114244 194.9
[M+NH4]+ 331.155343 199.9
[M+K]+ 352.084678 192.3
[M+H-H2O]+ 296.118780 174.2
[M+HCOO]- 358.119721 202.3
[M+CH3COO]- 372.135371 231.8
[M+Na-2H]- 334.096186 189.1
[M]+ 313.12097142 181.6
[M]- 313.12206858 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.