CID 1906070

374085-90-2

Structural Information

Molecular Formula
C20H23N5O2S2
SMILES
CC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C)/SC1=S
InChI
InChI=1S/C20H23N5O2S2/c1-13(2)25-19(27)15(29-20(25)28)12-14-17(23-10-8-22(3)9-11-23)21-16-6-4-5-7-24(16)18(14)26/h4-7,12-13H,8-11H2,1-3H3/b15-12-
InChIKey
SQVMQQFSYKLDLD-QINSGFPZSA-N
Compound name
(5Z)-5-[[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1293 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13658 200.4
[M+Na]+ 452.11852 212.5
[M+NH4]+ 447.16312 205.9
[M+K]+ 468.09246 204.1
[M-H]- 428.12202 202.9
[M+Na-2H]- 450.10397 203.1
[M]+ 429.12875 203.6
[M]- 429.12985 203.6
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.