CID 6445774

Brn 0822809

Structural Information

Molecular Formula
C19H18N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C=C(C=C3)C)C)/NC2=S
InChI
InChI=1S/C19H18N2OS/c1-12-5-8-16(9-6-12)21-18(22)17(20-19(21)23)11-15-7-4-13(2)10-14(15)3/h4-11H,1-3H3,(H,20,23)/b17-11-
InChIKey
LVCSGFODWBIFHU-BOPFTXTBSA-N
Compound name
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11398 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12126 179.1
[M+Na]+ 345.10320 193.5
[M+NH4]+ 340.14780 186.7
[M+K]+ 361.07714 185.0
[M-H]- 321.10670 183.7
[M+Na-2H]- 343.08865 185.5
[M]+ 322.11343 183.0
[M]- 322.11453 183.0
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.