CID 5767888

442867-67-6

Structural Information

Molecular Formula
C18H20N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C)NCCO
InChI
InChI=1S/C18H20N4O3S2/c1-10(2)22-17(25)13(27-18(22)26)9-12-14(19-6-8-23)20-15-11(3)5-4-7-21(15)16(12)24/h4-5,7,9-10,19,23H,6,8H2,1-3H3/b13-9-
InChIKey
HZIBSZIEMLQZAE-LCYFTJDESA-N
Compound name
(5Z)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[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

0
References

0
Patents

404.0977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10498 192.3
[M+Na]+ 427.08692 201.7
[M-H]- 403.09042 194.8
[M+NH4]+ 422.13152 202.6
[M+K]+ 443.06086 193.5
[M+H-H2O]+ 387.09496 185.6
[M+HCOO]- 449.09590 198.4
[M+CH3COO]- 463.11155 222.6
[M+Na-2H]- 425.07237 188.0
[M]+ 404.09715 195.6
[M]- 404.09825 195.6
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.