CID 3005233

Nsc684388

Structural Information

Molecular Formula
C19H21N3OS
SMILES
CN(C)C1=CC=C(C=C1)C(CC2=CC=CC=C2)C3C(=O)NC(=S)N3
InChI
InChI=1S/C19H21N3OS/c1-22(2)15-10-8-14(9-11-15)16(12-13-6-4-3-5-7-13)17-18(23)21-19(24)20-17/h3-11,16-17H,12H2,1-2H3,(H2,20,21,23,24)
InChIKey
QYIJHYMUTGAMGF-UHFFFAOYSA-N
Compound name
5-[1-[4-(dimethylamino)phenyl]-2-phenylethyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14053 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14781 180.6
[M+Na]+ 362.12975 186.1
[M-H]- 338.13325 186.2
[M+NH4]+ 357.17435 192.5
[M+K]+ 378.10369 179.4
[M+H-H2O]+ 322.13779 171.8
[M+HCOO]- 384.13873 193.2
[M+CH3COO]- 398.15438 189.4
[M+Na-2H]- 360.11520 177.2
[M]+ 339.13998 177.8
[M]- 339.14108 177.8
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.