CID 5766170

361996-85-2

Structural Information

Molecular Formula
C22H27N5O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)C
InChI
InChI=1S/C22H27N5O3S2/c1-15-6-4-7-26-18(15)23-19(25-11-9-24(2)10-12-25)16(20(26)28)14-17-21(29)27(22(31)32-17)8-5-13-30-3/h4,6-7,14H,5,8-13H2,1-3H3/b17-14-
InChIKey
GYUKUNQKLPYEDF-VKAVYKQESA-N
Compound name
(5Z)-3-(3-methoxypropyl)-5-[[9-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

473.15552 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.16280 213.0
[M+Na]+ 496.14474 221.9
[M-H]- 472.14824 216.4
[M+NH4]+ 491.18934 218.6
[M+K]+ 512.11868 213.0
[M+H-H2O]+ 456.15278 204.3
[M+HCOO]- 518.15372 214.5
[M+CH3COO]- 532.16937 219.0
[M+Na-2H]- 494.13019 205.6
[M]+ 473.15497 215.3
[M]- 473.15607 215.3
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.