CID 5876901

477735-20-9

Structural Information

Molecular Formula
C24H31N5O4S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCOC)NCCCN4CCOCC4
InChI
InChI=1S/C24H31N5O4S2/c1-17-6-3-9-28-21(17)26-20(25-7-4-8-27-11-14-33-15-12-27)18(22(28)30)16-19-23(31)29(24(34)35-19)10-5-13-32-2/h3,6,9,16,25H,4-5,7-8,10-15H2,1-2H3/b19-16-
InChIKey
PDPXDKOZRHDRQH-MNDPQUGUSA-N
Compound name
(5Z)-3-(3-methoxypropyl)-5-[[9-methyl-2-(3-morpholin-4-ylpropylamino)-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

517.18176 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.18904 222.1
[M+Na]+ 540.17098 232.0
[M+NH4]+ 535.21558 226.1
[M+K]+ 556.14492 223.5
[M-H]- 516.17448 225.9
[M+Na-2H]- 538.15643 223.3
[M]+ 517.18121 225.2
[M]- 517.18231 225.2
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.