CID 1903823

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

Structural Information

Molecular Formula
C19H20N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C)NCC=C
InChI
InChI=1S/C19H20N4O2S2/c1-5-8-20-15-13(10-14-18(25)23(11(2)3)19(26)27-14)17(24)22-9-6-7-12(4)16(22)21-15/h5-7,9-11,20H,1,8H2,2-4H3/b14-10-
InChIKey
FACSHQVIFBIOQX-UVTDQMKNSA-N
Compound name
(5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

400.10278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11006 196.3
[M+Na]+ 423.09200 207.4
[M+NH4]+ 418.13660 201.8
[M+K]+ 439.06594 198.6
[M-H]- 399.09550 198.1
[M+Na-2H]- 421.07745 198.1
[M]+ 400.10223 199.0
[M]- 400.10333 199.0
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.

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No patent data available for this compound.