CID 3070461

3-(3-(diethylamino)propyl)-5-isobutyl-2-thiohydantoin

Structural Information

Molecular Formula
C14H27N3OS
SMILES
CCN(CC)CCCN1C(=O)C(NC1=S)CC(C)C
InChI
InChI=1S/C14H27N3OS/c1-5-16(6-2)8-7-9-17-13(18)12(10-11(3)4)15-14(17)19/h11-12H,5-10H2,1-4H3,(H,15,19)
InChIKey
BTNYEHUQQJTWLF-UHFFFAOYSA-N
Compound name
3-[3-(diethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.18747 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19475 171.0
[M+Na]+ 308.17669 176.3
[M-H]- 284.18019 171.4
[M+NH4]+ 303.22129 186.7
[M+K]+ 324.15063 172.9
[M+H-H2O]+ 268.18473 163.7
[M+HCOO]- 330.18567 183.4
[M+CH3COO]- 344.20132 206.5
[M+Na-2H]- 306.16214 165.4
[M]+ 285.18692 173.1
[M]- 285.18802 173.1
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.