CID 1911087

361995-89-3

Structural Information

Molecular Formula
C19H18N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC=C)NCC=C
InChI
InChI=1S/C19H18N4O2S2/c1-4-8-20-15-13(11-14-18(25)23(9-5-2)19(26)27-14)17(24)22-10-6-7-12(3)16(22)21-15/h4-7,10-11,20H,1-2,8-9H2,3H3/b14-11-
InChIKey
ZZUJLAQOLXNPJZ-KAMYIIQDSA-N
Compound name
(5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.08713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09441 196.7
[M+Na]+ 421.07635 208.1
[M+NH4]+ 416.12095 201.9
[M+K]+ 437.05029 198.4
[M-H]- 397.07985 198.3
[M+Na-2H]- 419.06180 198.5
[M]+ 398.08658 199.4
[M]- 398.08768 199.4
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.