CID 1977999

442566-02-1

Structural Information

Molecular Formula
C24H25N5O4S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)N5CCN(CC5)CCO
InChI
InChI=1S/C24H25N5O4S2/c1-16-4-2-6-28-20(16)25-21(27-9-7-26(8-10-27)11-12-30)18(22(28)31)14-19-23(32)29(24(34)35-19)15-17-5-3-13-33-17/h2-6,13-14,30H,7-12,15H2,1H3/b19-14-
InChIKey
XIIHZVPPXHBHEF-RGEXLXHISA-N
Compound name
(5Z)-3-(furan-2-ylmethyl)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-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

511.1348 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.14208 219.2
[M+Na]+ 534.12402 232.1
[M+NH4]+ 529.16862 223.6
[M+K]+ 550.09796 225.5
[M-H]- 510.12752 224.0
[M+Na-2H]- 532.10947 222.1
[M]+ 511.13425 223.1
[M]- 511.13535 223.1
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.