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]+ 284.175736 168.3
[M+Na]+ 306.157678 173.8
[M-H]- 282.161184 173.3
[M+NH4]+ 301.202283 182.1
[M+K]+ 322.131618 169.3
[M+H-H2O]+ 266.165720 159.0
[M+HCOO]- 328.166661 191.8
[M+CH3COO]- 342.182311 207.2
[M+Na-2H]- 304.143126 173.0
[M]+ 283.16791142 168.3
[M]- 283.16900858 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.