CID 1905003

2-(allylamino)-3-[(z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C20H22N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(C)C)NCC=C
InChI
InChI=1S/C20H22N4O2S2/c1-5-8-21-16-14(18(25)23-9-6-7-13(4)17(23)22-16)10-15-19(26)24(11-12(2)3)20(27)28-15/h5-7,9-10,12,21H,1,8,11H2,2-4H3/b15-10-
InChIKey
MIBQTRZICNLFMK-GDNBJRDFSA-N
Compound name
(5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[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

414.1184 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12568 200.3
[M+Na]+ 437.10762 211.2
[M+NH4]+ 432.15222 205.6
[M+K]+ 453.08156 202.2
[M-H]- 413.11112 202.0
[M+Na-2H]- 435.09307 201.9
[M]+ 414.11785 203.0
[M]- 414.11895 203.0
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.