CID 1942199

488101-83-3

Structural Information

Molecular Formula
C23H29N5O2S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC(C)C
InChI
InChI=1S/C23H29N5O2S2/c1-5-25-8-10-26(11-9-25)20-17(21(29)27-14-16(4)6-7-19(27)24-20)12-18-22(30)28(13-15(2)3)23(31)32-18/h6-7,12,14-15H,5,8-11,13H2,1-4H3/b18-12-
InChIKey
DASAVZNDDQRGGK-PDGQHHTCSA-N
Compound name
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.17627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18355 213.6
[M+Na]+ 494.16549 225.4
[M+NH4]+ 489.21009 218.6
[M+K]+ 510.13943 216.5
[M-H]- 470.16899 216.1
[M+Na-2H]- 492.15094 215.4
[M]+ 471.17572 216.7
[M]- 471.17682 216.7
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.