CID 3053741

4h-pyrido(1,2-a)pyrimidin-4-one, 3-butyl-2,6-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCCCC1=C(N=C2C=CC=C(N2C1=O)C)C
InChI
InChI=1S/C14H18N2O/c1-4-5-8-12-11(3)15-13-9-6-7-10(2)16(13)14(12)17/h6-7,9H,4-5,8H2,1-3H3
InChIKey
KZYFGXACKSJUDW-UHFFFAOYSA-N
Compound name
3-butyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 152.8
[M+Na]+ 253.131118 163.6
[M-H]- 229.134624 155.2
[M+NH4]+ 248.175723 170.2
[M+K]+ 269.105058 159.2
[M+H-H2O]+ 213.139160 145.0
[M+HCOO]- 275.140101 173.3
[M+CH3COO]- 289.155751 195.0
[M+Na-2H]- 251.116566 158.7
[M]+ 230.14135142 156.5
[M]- 230.14244858 156.5
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