CID 5334620

Mls000578708

Structural Information

Molecular Formula
C16H15N3O
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H15N3O/c1-13(11-14-5-3-2-4-6-14)12-18-19-16(20)15-7-9-17-10-8-15/h2-12H,1H3,(H,19,20)/b13-11+,18-12+
InChIKey
FSFKVSPCDZARKW-GTSFMQCKSA-N
Compound name
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

265.12152 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 162.1
[M+Na]+ 288.11074 166.9
[M-H]- 264.11424 168.1
[M+NH4]+ 283.15534 176.5
[M+K]+ 304.08468 162.9
[M+H-H2O]+ 248.11878 152.6
[M+HCOO]- 310.11972 186.9
[M+CH3COO]- 324.13537 202.3
[M+Na-2H]- 286.09619 168.1
[M]+ 265.12097 160.6
[M]- 265.12207 160.6
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