CID 2063947

Methyl 2-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)sulfanylacetate

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
COC(=O)CSC1=C(C(=O)N2C=CC=CC2=N1)C=O
InChI
InChI=1S/C12H10N2O4S/c1-18-10(16)7-19-11-8(6-15)12(17)14-5-3-2-4-9(14)13-11/h2-6H,7H2,1H3
InChIKey
XYHFNDKCLPKBLV-UHFFFAOYSA-N
Compound name
methyl 2-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

278.03613 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04341 157.3
[M+Na]+ 301.02535 167.9
[M-H]- 277.02885 159.9
[M+NH4]+ 296.06995 172.5
[M+K]+ 316.99929 164.1
[M+H-H2O]+ 261.03339 149.8
[M+HCOO]- 323.03433 173.4
[M+CH3COO]- 337.04998 196.5
[M+Na-2H]- 299.01080 161.4
[M]+ 278.03558 164.4
[M]- 278.03668 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe