CID 3070474

86503-30-2

Structural Information

Molecular Formula
C15H21N3O2S
SMILES
CN(C)CCCN1C(=O)C(NC1=S)CC2=CC=C(C=C2)O
InChI
InChI=1S/C15H21N3O2S/c1-17(2)8-3-9-18-14(20)13(16-15(18)21)10-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-10H2,1-2H3,(H,16,21)
InChIKey
BWLRGSSLZXCLFU-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13544 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14272 173.8
[M+Na]+ 330.12466 182.9
[M+NH4]+ 325.16926 179.7
[M+K]+ 346.09860 177.4
[M-H]- 306.12816 175.2
[M+Na-2H]- 328.11011 176.6
[M]+ 307.13489 175.5
[M]- 307.13599 175.5
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.