CID 1391509

361996-53-4

Structural Information

Molecular Formula
C19H21N5O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C)N4CCN(CC4)C
InChI
InChI=1S/C19H21N5O2S2/c1-12-5-4-6-24-15(12)20-16(23-9-7-21(2)8-10-23)13(17(24)25)11-14-18(26)22(3)19(27)28-14/h4-6,11H,7-10H2,1-3H3/b14-11-
InChIKey
QKHHEDLWKPLLPT-KAMYIIQDSA-N
Compound name
(5Z)-3-methyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11368 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12096 199.3
[M+Na]+ 438.10290 212.3
[M+NH4]+ 433.14750 205.1
[M+K]+ 454.07684 203.3
[M-H]- 414.10640 202.1
[M+Na-2H]- 436.08835 202.0
[M]+ 415.11313 202.7
[M]- 415.11423 202.7
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.