CID 5813951

361996-74-9

Structural Information

Molecular Formula
C26H27N5O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)N5CCN(CC5)C
InChI
InChI=1S/C26H27N5O2S2/c1-17-8-7-11-30-22(17)27-23(29-14-12-28(3)13-15-29)20(24(30)32)16-21-25(33)31(26(34)35-21)18(2)19-9-5-4-6-10-19/h4-11,16,18H,12-15H2,1-3H3/b21-16-
InChIKey
CNLGHFTWBXQFRL-PGMHBOJBSA-N
Compound name
(5Z)-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.16788 217.3
[M+Na]+ 528.14982 231.4
[M+NH4]+ 523.19442 222.9
[M+K]+ 544.12376 221.6
[M-H]- 504.15332 222.5
[M+Na-2H]- 526.13527 222.7
[M]+ 505.16005 221.6
[M]- 505.16115 221.6
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.