CID 3079279

N-hexyl-6-methyl-4-oxo-4h-pyrido(1,2-a)pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCCCCCNC(=O)C1=CN=C2C=CC=C(N2C1=O)C
InChI
InChI=1S/C16H21N3O2/c1-3-4-5-6-10-17-15(20)13-11-18-14-9-7-8-12(2)19(14)16(13)21/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)
InChIKey
WQSDPVQRXJGUTP-UHFFFAOYSA-N
Compound name
N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

287.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 168.5
[M+Na]+ 310.15262 176.4
[M-H]- 286.15612 170.2
[M+NH4]+ 305.19722 182.6
[M+K]+ 326.12656 172.0
[M+H-H2O]+ 270.16066 159.7
[M+HCOO]- 332.16160 188.7
[M+CH3COO]- 346.17725 206.3
[M+Na-2H]- 308.13807 173.3
[M]+ 287.16285 171.8
[M]- 287.16395 171.8
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

patents stripe