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

6
Patents

299.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 169.3
[M+Na]+ 322.152618 174.1
[M-H]- 298.156124 174.8
[M+NH4]+ 317.197223 181.5
[M+K]+ 338.126558 174.4
[M+H-H2O]+ 282.160660 160.2
[M+HCOO]- 344.161601 185.9
[M+CH3COO]- 358.177251 178.7
[M+Na-2H]- 320.138066 172.8
[M]+ 299.16285142 163.4
[M]- 299.16394858 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