CID 1536126

374540-77-9

Structural Information

Molecular Formula
C26H22N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)N(C)CC5=CC=CC=C5
InChI
InChI=1S/C26H22N4O3S2/c1-17-8-6-12-29-22(17)27-23(28(2)15-18-9-4-3-5-10-18)20(24(29)31)14-21-25(32)30(26(34)35-21)16-19-11-7-13-33-19/h3-14H,15-16H2,1-2H3/b21-14-
InChIKey
DSVATZUQXOPCMH-STZFKDTASA-N
Compound name
(5Z)-5-[[2-[benzyl(methyl)amino]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.11334 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.12062 216.2
[M+Na]+ 525.10256 231.2
[M+NH4]+ 520.14716 222.6
[M+K]+ 541.07650 223.0
[M-H]- 501.10606 224.4
[M+Na-2H]- 523.08801 223.4
[M]+ 502.11279 221.6
[M]- 502.11389 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.