CID 1552315

307326-52-9

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]+ 248.102966 153.2
[M+Na]+ 270.084908 163.5
[M-H]- 246.088414 154.6
[M+NH4]+ 265.129513 168.6
[M+K]+ 286.058848 159.3
[M+H-H2O]+ 230.092950 145.5
[M+HCOO]- 292.093891 174.5
[M+CH3COO]- 306.109541 195.1
[M+Na-2H]- 268.070356 160.3
[M]+ 247.09514142 155.9
[M]- 247.09623858 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