CID 3061041

Brn 5086040

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCCNC(=O)C1=C(N=C(C=C1)C)NC2=CC=C(C=C2)C
InChI
InChI=1S/C17H21N3O/c1-4-11-18-17(21)15-10-7-13(3)19-16(15)20-14-8-5-12(2)6-9-14/h5-10H,4,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
VLOTZSPLWUUABP-UHFFFAOYSA-N
Compound name
6-methyl-2-(4-methylanilino)-N-propylpyridine-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 168.7
[M+Na]+ 306.15768 175.1
[M-H]- 282.16118 174.2
[M+NH4]+ 301.20228 182.8
[M+K]+ 322.13162 170.7
[M+H-H2O]+ 266.16572 159.7
[M+HCOO]- 328.16666 192.2
[M+CH3COO]- 342.18231 208.5
[M+Na-2H]- 304.14313 172.7
[M]+ 283.16791 169.1
[M]- 283.16901 169.1
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.