CID 3049971

Nicotinamide, n-butyl-2-(p-methylanilino)-

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCCCNC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)C
InChI
InChI=1S/C17H21N3O/c1-3-4-11-19-17(21)15-6-5-12-18-16(15)20-14-9-7-13(2)8-10-14/h5-10,12H,3-4,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
HJALCHBOSAJOJR-UHFFFAOYSA-N
Compound name
N-butyl-2-(4-methylanilino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.3
[M+Na]+ 306.15768 173.8
[M-H]- 282.16118 173.3
[M+NH4]+ 301.20228 182.1
[M+K]+ 322.13162 169.3
[M+H-H2O]+ 266.16572 159.0
[M+HCOO]- 328.16666 191.8
[M+CH3COO]- 342.18231 207.2
[M+Na-2H]- 304.14313 173.0
[M]+ 283.16791 168.3
[M]- 283.16901 168.3
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.