CID 5469468

Nsc688930

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)CN3CCOCC3
InChI
InChI=1S/C16H19N3O3S/c1-21-13-4-2-12(3-5-13)10-14-15(20)19(16(23)17-14)11-18-6-8-22-9-7-18/h2-5,10H,6-9,11H2,1H3,(H,17,23)/b14-10-
InChIKey
MRLIMXYBVBQMIY-UVTDQMKNSA-N
Compound name
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11472 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 179.1
[M+Na]+ 356.10394 185.6
[M-H]- 332.10744 183.6
[M+NH4]+ 351.14854 189.0
[M+K]+ 372.07788 180.5
[M+H-H2O]+ 316.11198 170.3
[M+HCOO]- 378.11292 188.0
[M+CH3COO]- 392.12857 187.7
[M+Na-2H]- 354.08939 175.2
[M]+ 333.11417 176.3
[M]- 333.11527 176.3
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.