CID 3005231

Nsc684386

Structural Information

Molecular Formula
C18H18N2O2S
SMILES
COC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3C(=O)NC(=S)N3
InChI
InChI=1S/C18H18N2O2S/c1-22-14-9-7-13(8-10-14)15(11-12-5-3-2-4-6-12)16-17(21)20-18(23)19-16/h2-10,15-16H,11H2,1H3,(H2,19,20,21,23)
InChIKey
IWXWJOMNNDVWMS-UHFFFAOYSA-N
Compound name
5-[1-(4-methoxyphenyl)-2-phenylethyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1089 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11618 176.4
[M+Na]+ 349.09812 183.0
[M-H]- 325.10162 180.9
[M+NH4]+ 344.14272 188.5
[M+K]+ 365.07206 175.8
[M+H-H2O]+ 309.10616 168.2
[M+HCOO]- 371.10710 188.1
[M+CH3COO]- 385.12275 185.5
[M+Na-2H]- 347.08357 173.4
[M]+ 326.10835 174.1
[M]- 326.10945 174.1
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.