CID 214583

Mz-145

Structural Information

Molecular Formula
C11H16N3O2
SMILES
CC1CCCC2=[N+](C=C(C(=O)N12)C(=O)N)C
InChI
InChI=1S/C11H15N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h6-7H,3-5H2,1-2H3,(H-,12,15)/p+1
InChIKey
UANRKMZNAIFBGD-UHFFFAOYSA-O
Compound name
1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.12425 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13153 148.5
[M+Na]+ 245.11347 157.4
[M-H]- 221.11697 150.6
[M+NH4]+ 240.15807 165.0
[M+K]+ 261.08741 148.8
[M+H-H2O]+ 205.12151 144.0
[M+HCOO]- 267.12245 166.6
[M+CH3COO]- 281.13810 186.0
[M+Na-2H]- 243.09892 154.9
[M]+ 222.12370 145.5
[M]- 222.12480 145.5
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

No patent data available for this compound.