CID 5469471

Nsc688933

Structural Information

Molecular Formula
C13H15N3O2S2
SMILES
C1COCCN1CN2C(=O)/C(=C/C3=CC=CS3)/NC2=S
InChI
InChI=1S/C13H15N3O2S2/c17-12-11(8-10-2-1-7-20-10)14-13(19)16(12)9-15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2,(H,14,19)/b11-8-
InChIKey
IHKNAOKZLOKQDG-FLIBITNWSA-N
Compound name
(5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.06058 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06786 170.0
[M+Na]+ 332.04980 178.1
[M-H]- 308.05330 175.1
[M+NH4]+ 327.09440 183.5
[M+K]+ 348.02374 173.2
[M+H-H2O]+ 292.05784 164.0
[M+HCOO]- 354.05878 176.1
[M+CH3COO]- 368.07443 179.6
[M+Na-2H]- 330.03525 163.8
[M]+ 309.06003 167.0
[M]- 309.06113 167.0
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.

Patent stripe

No patent data available for this compound.