CID 3070458

Hydantoin, 5-sec-butyl-3-(3-(dimethylamino)propyl)-2-thio-

Structural Information

Molecular Formula
C12H23N3OS
SMILES
CC[C@@H](C)[C@@H]1C(=O)N(C(=S)N1)CCCN(C)C
InChI
InChI=1S/C12H23N3OS/c1-5-9(2)10-11(16)15(12(17)13-10)8-6-7-14(3)4/h9-10H,5-8H2,1-4H3,(H,13,17)/t9-,10-/m1/s1
InChIKey
WISIUVFMEVODAQ-NXEZZACHSA-N
Compound name
(5R)-5-[(2R)-butan-2-yl]-3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16348 162.4
[M+Na]+ 280.14542 168.5
[M-H]- 256.14892 163.1
[M+NH4]+ 275.19002 179.2
[M+K]+ 296.11936 165.7
[M+H-H2O]+ 240.15346 155.5
[M+HCOO]- 302.15440 175.4
[M+CH3COO]- 316.17005 200.6
[M+Na-2H]- 278.13087 157.7
[M]+ 257.15565 163.8
[M]- 257.15675 163.8
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.