CID 5733239

2-[(2-methoxyethyl)amino]-9-methyl-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
C17H18N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C)NCCOC
InChI
InChI=1S/C17H18N4O3S2/c1-10-5-4-7-21-14(10)19-13(18-6-8-24-3)11(15(21)22)9-12-16(23)20(2)17(25)26-12/h4-5,7,9,18H,6,8H2,1-3H3/b12-9-
InChIKey
ZTNOZHGDRHWEIF-XFXZXTDPSA-N
Compound name
(5Z)-5-[[2-(2-methoxyethylamino)-9-methyl-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

390.08203 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08931 192.5
[M+Na]+ 413.07125 203.8
[M+NH4]+ 408.11585 198.0
[M+K]+ 429.04519 195.2
[M-H]- 389.07475 194.3
[M+Na-2H]- 411.05670 194.6
[M]+ 390.08148 195.3
[M]- 390.08258 195.3
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.