CID 1965385

477735-29-8

Structural Information

Molecular Formula
C22H27N5O4S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCOC)N4CCN(CC4)CCO
InChI
InChI=1S/C22H27N5O4S2/c1-15-4-3-5-26-18(15)23-19(25-8-6-24(7-9-25)10-12-28)16(20(26)29)14-17-21(30)27(11-13-31-2)22(32)33-17/h3-5,14,28H,6-13H2,1-2H3/b17-14-
InChIKey
ZZRIJBDDUQUOOX-VKAVYKQESA-N
Compound name
(5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.15045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.15773 216.7
[M+Na]+ 512.13967 227.5
[M+NH4]+ 507.18427 220.5
[M+K]+ 528.11361 219.4
[M-H]- 488.14317 218.0
[M+Na-2H]- 510.12512 217.6
[M]+ 489.14990 219.1
[M]- 489.15100 219.1
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.