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]+ 284.175736 168.7
[M+Na]+ 306.157678 175.1
[M-H]- 282.161184 174.2
[M+NH4]+ 301.202283 182.8
[M+K]+ 322.131618 170.7
[M+H-H2O]+ 266.165720 159.7
[M+HCOO]- 328.166661 192.2
[M+CH3COO]- 342.182311 208.5
[M+Na-2H]- 304.143126 172.7
[M]+ 283.16791142 169.1
[M]- 283.16900858 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.