CID 3079286

125055-64-3

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC3CCCCCC3
InChI
InChI=1S/C17H21N3O2/c1-12-7-6-10-15-18-11-14(17(22)20(12)15)16(21)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,21)
InChIKey
XIKVBHWOSOPFKR-UHFFFAOYSA-N
Compound name
N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

299.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 169.3
[M+Na]+ 322.15262 174.1
[M-H]- 298.15612 174.8
[M+NH4]+ 317.19722 181.5
[M+K]+ 338.12656 174.4
[M+H-H2O]+ 282.16066 160.2
[M+HCOO]- 344.16160 185.9
[M+CH3COO]- 358.17725 178.7
[M+Na-2H]- 320.13807 172.8
[M]+ 299.16285 163.4
[M]- 299.16395 163.4
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