CID 3053747

4h-pyrido(1,2-a)pyrimidin-4-one, 2-methyl-3-propyl-, monohydrochloride

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCCC1=C(N=C2C=CC=CN2C1=O)C
InChI
InChI=1S/C12H14N2O/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15/h4-5,7-8H,3,6H2,1-2H3
InChIKey
MJDZARRCOPBQRL-UHFFFAOYSA-N
Compound name
2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

202.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.6
[M+Na]+ 225.09983 154.3
[M-H]- 201.10333 146.0
[M+NH4]+ 220.14443 161.8
[M+K]+ 241.07377 150.4
[M+H-H2O]+ 185.10787 136.0
[M+HCOO]- 247.10881 164.8
[M+CH3COO]- 261.12446 187.8
[M+Na-2H]- 223.08528 151.3
[M]+ 202.11006 146.2
[M]- 202.11116 146.2
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