CID 5766171

361996-90-9

Structural Information

Molecular Formula
C23H27N5O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4CCCO4)N5CCN(CC5)C
InChI
InChI=1S/C23H27N5O3S2/c1-15-5-3-7-27-19(15)24-20(26-10-8-25(2)9-11-26)17(21(27)29)13-18-22(30)28(23(32)33-18)14-16-6-4-12-31-16/h3,5,7,13,16H,4,6,8-12,14H2,1-2H3/b18-13-
InChIKey
OBFGDSPJHFKSMP-AQTBWJFISA-N
Compound name
(5Z)-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.15552 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.16280 213.7
[M+Na]+ 508.14474 225.2
[M+NH4]+ 503.18934 219.0
[M+K]+ 524.11868 218.7
[M-H]- 484.14824 218.8
[M+Na-2H]- 506.13019 215.5
[M]+ 485.15497 217.4
[M]- 485.15607 217.4
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.