CID 11820720

Chembl583156

Structural Information

Molecular Formula
C21H17N3O
SMILES
C1=CC=C(C=C1)C(=C/C=N/NC(=O)C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H17N3O/c25-21(19-11-14-22-15-12-19)24-23-16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H,(H,24,25)/b23-16+
InChIKey
UDGMUISAVHFNFE-XQNSMLJCSA-N
Compound name
N-[(E)-3,3-diphenylprop-2-enylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

327.13718 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 178.2
[M+Na]+ 350.12640 182.0
[M-H]- 326.12990 186.7
[M+NH4]+ 345.17100 189.3
[M+K]+ 366.10034 176.1
[M+H-H2O]+ 310.13444 167.0
[M+HCOO]- 372.13538 202.4
[M+CH3COO]- 386.15103 213.3
[M+Na-2H]- 348.11185 184.2
[M]+ 327.13663 175.7
[M]- 327.13773 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe