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 170.6
[M+Na]+ 322.15262 180.9
[M+NH4]+ 317.19722 176.9
[M+K]+ 338.12656 175.6
[M-H]- 298.15612 173.5
[M+Na-2H]- 320.13807 176.3
[M]+ 299.16285 172.7
[M]- 299.16395 172.7
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