CID 3061040

78593-73-4

Structural Information

Molecular Formula
C15H17N3O
SMILES
CCNC(=O)C1=C(N=C(C=C1)C)NC2=CC=CC=C2
InChI
InChI=1S/C15H17N3O/c1-3-16-15(19)13-10-9-11(2)17-14(13)18-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
DBPJBGGAFKSAML-UHFFFAOYSA-N
Compound name
2-anilino-N-ethyl-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.3
[M+Na]+ 278.12638 165.7
[M-H]- 254.12988 164.8
[M+NH4]+ 273.17098 174.3
[M+K]+ 294.10032 161.7
[M+H-H2O]+ 238.13442 150.5
[M+HCOO]- 300.13536 183.5
[M+CH3COO]- 314.15101 201.2
[M+Na-2H]- 276.11183 165.1
[M]+ 255.13661 158.6
[M]- 255.13771 158.6
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.