CID 1605760

2-[(2-methoxyethyl)amino]-3-[(z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C16H16N4O3S2
SMILES
CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCCOC)/SC1=S
InChI
InChI=1S/C16H16N4O3S2/c1-19-15(22)11(25-16(19)24)9-10-13(17-6-8-23-2)18-12-5-3-4-7-20(12)14(10)21/h3-5,7,9,17H,6,8H2,1-2H3/b11-9-
InChIKey
IRUQYWLYAFDSPP-LUAWRHEFSA-N
Compound name
(5Z)-5-[[2-(2-methoxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.06638 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07366 184.5
[M+Na]+ 399.05560 195.1
[M-H]- 375.05910 188.4
[M+NH4]+ 394.10020 196.5
[M+K]+ 415.02954 187.4
[M+H-H2O]+ 359.06364 177.3
[M+HCOO]- 421.06458 193.9
[M+CH3COO]- 435.08023 216.8
[M+Na-2H]- 397.04105 182.7
[M]+ 376.06583 189.0
[M]- 376.06693 189.0
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.