CID 214570

Mz-214

Structural Information

Molecular Formula
C14H21N2O3
SMILES
CC1CCCC2=[N+](C=C(C(=O)N12)C(=O)OC(C)C)C
InChI
InChI=1S/C14H21N2O3/c1-9(2)19-14(18)11-8-15(4)12-7-5-6-10(3)16(12)13(11)17/h8-10H,5-7H2,1-4H3/q+1
InChIKey
BVZJNVUSPRRLCL-UHFFFAOYSA-N
Compound name
propan-2-yl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1552 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16248 160.7
[M+Na]+ 288.14442 168.8
[M-H]- 264.14792 162.9
[M+NH4]+ 283.18902 175.9
[M+K]+ 304.11836 161.0
[M+H-H2O]+ 248.15246 155.9
[M+HCOO]- 310.15340 176.6
[M+CH3COO]- 324.16905 193.1
[M+Na-2H]- 286.12987 165.0
[M]+ 265.15465 161.1
[M]- 265.15575 161.1
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.