CID 5926908

372979-30-1

Structural Information

Molecular Formula
C26H27N5O3S2
SMILES
COCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CC5=CC=CC=C5)/SC1=S
InChI
InChI=1S/C26H27N5O3S2/c1-34-16-15-31-25(33)21(36-26(31)35)17-20-23(27-22-9-5-6-10-30(22)24(20)32)29-13-11-28(12-14-29)18-19-7-3-2-4-8-19/h2-10,17H,11-16,18H2,1H3/b21-17-
InChIKey
PCWZQZRICYUHLO-FXBPSFAMSA-N
Compound name
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-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

521.1555 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.16278 220.2
[M+Na]+ 544.14472 233.9
[M+NH4]+ 539.18932 225.4
[M+K]+ 560.11866 223.7
[M-H]- 520.14822 225.1
[M+Na-2H]- 542.13017 225.7
[M]+ 521.15495 224.3
[M]- 521.15605 224.3
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.