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]+ 256.144436 159.3
[M+Na]+ 278.126378 165.7
[M-H]- 254.129884 164.8
[M+NH4]+ 273.170983 174.3
[M+K]+ 294.100318 161.7
[M+H-H2O]+ 238.134420 150.5
[M+HCOO]- 300.135361 183.5
[M+CH3COO]- 314.151011 201.2
[M+Na-2H]- 276.111826 165.1
[M]+ 255.13661142 158.6
[M]- 255.13770858 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.