CID 6081357

442867-74-5

Structural Information

Molecular Formula
C26H27N5O2S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CCC5=CC=CC=C5
InChI
InChI=1S/C26H27N5O2S2/c1-2-28-14-16-29(17-15-28)23-20(24(32)30-12-7-6-10-22(30)27-23)18-21-25(33)31(26(34)35-21)13-11-19-8-4-3-5-9-19/h3-10,12,18H,2,11,13-17H2,1H3/b21-18-
InChIKey
QOJHJSJKXZDDEX-UZYVYHOESA-N
Compound name
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1606 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.16788 220.9
[M+Na]+ 528.14982 229.2
[M-H]- 504.15332 226.8
[M+NH4]+ 523.19442 224.5
[M+K]+ 544.12376 218.5
[M+H-H2O]+ 488.15786 210.6
[M+HCOO]- 550.15880 222.6
[M+CH3COO]- 564.17445 226.1
[M+Na-2H]- 526.13527 214.4
[M]+ 505.16005 220.1
[M]- 505.16115 220.1
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.