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 160.2
[M+Na]+ 266.12975 167.4
[M+NH4]+ 261.17435 166.3
[M+K]+ 282.10369 162.9
[M-H]- 242.13325 159.5
[M+Na-2H]- 264.11520 160.4
[M]+ 243.13998 161.0
[M]- 243.14108 161.0
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.