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 205.1
[M+Na]+ 466.13418 213.8
[M-H]- 442.13768 208.5
[M+NH4]+ 461.17878 211.7
[M+K]+ 482.10812 205.0
[M+H-H2O]+ 426.14222 196.6
[M+HCOO]- 488.14316 205.8
[M+CH3COO]- 502.15881 211.4
[M+Na-2H]- 464.11963 197.7
[M]+ 443.14441 205.0
[M]- 443.14551 205.0
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.