CID 6435586

100243-28-5

Structural Information

Molecular Formula
C19H13N3O
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2/C=C\C=C(C#N)C#N
InChI
InChI=1S/C19H13N3O/c20-13-15(14-21)7-6-11-16-8-4-5-12-18(16)22-19(23)17-9-2-1-3-10-17/h1-12H,(H,22,23)/b11-6-
InChIKey
QYHPLTCUEZGMQG-WDZFZDKYSA-N
Compound name
N-[2-[(1Z)-4,4-dicyanobuta-1,3-dienyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10587 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11315 188.7
[M+Na]+ 322.09509 197.1
[M-H]- 298.09859 192.2
[M+NH4]+ 317.13969 197.6
[M+K]+ 338.06903 189.5
[M+H-H2O]+ 282.10313 171.6
[M+HCOO]- 344.10407 199.9
[M+CH3COO]- 358.11972 229.2
[M+Na-2H]- 320.08054 187.4
[M]+ 299.10532 178.6
[M]- 299.10642 178.6
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.