CID 1985873

617696-68-1

Structural Information

Molecular Formula
C19H22N4O3S2
SMILES
CCOCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C/3\C(=O)N(C(=S)S3)C
InChI
InChI=1S/C19H22N4O3S2/c1-4-26-10-6-8-20-15-13(11-14-18(25)22(3)19(27)28-14)17(24)23-9-5-7-12(2)16(23)21-15/h5,7,9,11,20H,4,6,8,10H2,1-3H3/b14-11+
InChIKey
MVNCGWWBBMLHIC-SDNWHVSQSA-N
Compound name
(5E)-5-[[2-(3-ethoxypropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.11334 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12062 200.5
[M+Na]+ 441.10256 211.4
[M+NH4]+ 436.14716 205.7
[M+K]+ 457.07650 202.4
[M-H]- 417.10606 202.2
[M+Na-2H]- 439.08801 202.2
[M]+ 418.11279 203.2
[M]- 418.11389 203.2
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.