CID 1901397

372494-23-0

Structural Information

Molecular Formula
C21H25N5O2S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C)/SC1=S
InChI
InChI=1S/C21H25N5O2S2/c1-14(2)13-26-20(28)16(30-21(26)29)12-15-18(24-10-8-23(3)9-11-24)22-17-6-4-5-7-25(17)19(15)27/h4-7,12,14H,8-11,13H2,1-3H3/b16-12-
InChIKey
CCUDJDDXJYBREZ-VBKFSLOCSA-N
Compound name
(5Z)-5-[[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.14496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15224 204.3
[M+Na]+ 466.13418 216.2
[M+NH4]+ 461.17878 209.6
[M+K]+ 482.10812 207.6
[M-H]- 442.13768 206.8
[M+Na-2H]- 464.11963 206.8
[M]+ 443.14441 207.4
[M]- 443.14551 207.4
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.