CID 3070480

86503-33-5

Structural Information

Molecular Formula
C13H23N3O3S
SMILES
CCOC(=O)CCC1C(=O)N(C(=S)N1)CCCN(C)C
InChI
InChI=1S/C13H23N3O3S/c1-4-19-11(17)7-6-10-12(18)16(13(20)14-10)9-5-8-15(2)3/h10H,4-9H2,1-3H3,(H,14,20)
InChIKey
PQBQGGLPLQKVBA-UHFFFAOYSA-N
Compound name
ethyl 3-[1-[3-(dimethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14603 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15331 171.8
[M+Na]+ 324.13525 177.4
[M-H]- 300.13875 172.3
[M+NH4]+ 319.17985 186.6
[M+K]+ 340.10919 174.7
[M+H-H2O]+ 284.14329 164.5
[M+HCOO]- 346.14423 185.2
[M+CH3COO]- 360.15988 206.2
[M+Na-2H]- 322.12070 167.0
[M]+ 301.14548 175.6
[M]- 301.14658 175.6
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.