CID 3070456

3-(3-(dimethylamino)propyl)-5-isopropyl-2-thiohydantoin

Structural Information

Molecular Formula
C11H21N3OS
SMILES
CC(C)C1C(=O)N(C(=S)N1)CCCN(C)C
InChI
InChI=1S/C11H21N3OS/c1-8(2)9-10(15)14(11(16)12-9)7-5-6-13(3)4/h8-9H,5-7H2,1-4H3,(H,12,16)
InChIKey
LPOAGBXSMANNER-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14053 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14781 158.1
[M+Na]+ 266.12975 164.7
[M-H]- 242.13325 159.0
[M+NH4]+ 261.17435 175.5
[M+K]+ 282.10369 162.0
[M+H-H2O]+ 226.13779 151.3
[M+HCOO]- 288.13873 171.4
[M+CH3COO]- 302.15438 197.6
[M+Na-2H]- 264.11520 153.8
[M]+ 243.13998 159.1
[M]- 243.14108 159.1
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.