CID 1601248

381711-46-2

Structural Information

Molecular Formula
C17H18N4O3S2
SMILES
CCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCCOC)/SC1=S
InChI
InChI=1S/C17H18N4O3S2/c1-3-20-16(23)12(26-17(20)25)10-11-14(18-7-9-24-2)19-13-6-4-5-8-21(13)15(11)22/h4-6,8,10,18H,3,7,9H2,1-2H3/b12-10-
InChIKey
SEFWCJUUQFJUMH-BENRWUELSA-N
Compound name
(5Z)-3-ethyl-5-[[2-(2-methoxyethylamino)-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

390.08203 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08931 188.4
[M+Na]+ 413.07125 198.5
[M-H]- 389.07475 192.1
[M+NH4]+ 408.11585 199.9
[M+K]+ 429.04519 190.6
[M+H-H2O]+ 373.07929 181.1
[M+HCOO]- 435.08023 197.5
[M+CH3COO]- 449.09588 219.7
[M+Na-2H]- 411.05670 186.2
[M]+ 390.08148 193.2
[M]- 390.08258 193.2
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.