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

4
Patents

230.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 152.8
[M+Na]+ 253.13112 163.6
[M-H]- 229.13462 155.2
[M+NH4]+ 248.17572 170.2
[M+K]+ 269.10506 159.2
[M+H-H2O]+ 213.13916 145.0
[M+HCOO]- 275.14010 173.3
[M+CH3COO]- 289.15575 195.0
[M+Na-2H]- 251.11657 158.7
[M]+ 230.14135 156.5
[M]- 230.14245 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