CID 3643260

3-ethyl-2,4-dimethyl-pyrido(1,2-a)pyrimidinium perchlorate

Structural Information

Molecular Formula
C12H15N2
SMILES
CCC1=C([N+]2=CC=CC=C2N=C1C)C
InChI
InChI=1S/C12H15N2/c1-4-11-9(2)13-12-7-5-6-8-14(12)10(11)3/h5-8H,4H2,1-3H3/q+1
InChIKey
VKJPPZLXRNREBO-UHFFFAOYSA-N
Compound name
3-ethyl-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12352 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.13080 142.0
[M+Na]+ 210.11274 152.4
[M-H]- 186.11624 144.7
[M+NH4]+ 205.15734 160.7
[M+K]+ 226.08668 143.3
[M+H-H2O]+ 170.12078 137.4
[M+HCOO]- 232.12172 162.5
[M+CH3COO]- 246.13737 180.1
[M+Na-2H]- 208.09819 152.1
[M]+ 187.12297 142.7
[M]- 187.12407 142.7
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

No patent data available for this compound.