CID 1552315

2-((2-hydroxyethyl)amino)-9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)C=O)NCCO
InChI
InChI=1S/C12H13N3O3/c1-8-3-2-5-15-11(8)14-10(13-4-6-16)9(7-17)12(15)18/h2-3,5,7,13,16H,4,6H2,1H3
InChIKey
WCOSFXVEEPKVBH-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

247.09569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 153.2
[M+Na]+ 270.08491 163.5
[M-H]- 246.08841 154.6
[M+NH4]+ 265.12951 168.6
[M+K]+ 286.05885 159.3
[M+H-H2O]+ 230.09295 145.5
[M+HCOO]- 292.09389 174.5
[M+CH3COO]- 306.10954 195.1
[M+Na-2H]- 268.07036 160.3
[M]+ 247.09514 155.9
[M]- 247.09624 155.9
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