CID 1536223

477734-62-6

Structural Information

Molecular Formula
C18H19N5O2S2
SMILES
CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)NC(=S)S3)N4CCN(CC4)C)C=C1
InChI
InChI=1S/C18H19N5O2S2/c1-11-3-4-14-19-15(22-7-5-21(2)6-8-22)12(17(25)23(14)10-11)9-13-16(24)20-18(26)27-13/h3-4,9-10H,5-8H2,1-2H3,(H,20,24,26)/b13-9-
InChIKey
BMQATAJIOYXADH-LCYFTJDESA-N
Compound name
(5Z)-5-[[7-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10530 193.5
[M+Na]+ 424.08724 205.9
[M+NH4]+ 419.13184 199.2
[M+K]+ 440.06118 197.3
[M-H]- 400.09074 195.8
[M+Na-2H]- 422.07269 196.3
[M]+ 401.09747 196.6
[M]- 401.09857 196.6
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.