CID 3070478

86503-32-4

Structural Information

Molecular Formula
C10H17N3O3S
SMILES
CN(C)CCCN1C(=O)C(NC1=S)CC(=O)O
InChI
InChI=1S/C10H17N3O3S/c1-12(2)4-3-5-13-9(16)7(6-8(14)15)11-10(13)17/h7H,3-6H2,1-2H3,(H,11,17)(H,14,15)
InChIKey
FBTGZTQGIDSXSC-UHFFFAOYSA-N
Compound name
2-[1-[3-(dimethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.09906 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10634 159.1
[M+Na]+ 282.08828 165.5
[M-H]- 258.09178 158.7
[M+NH4]+ 277.13288 174.7
[M+K]+ 298.06222 162.6
[M+H-H2O]+ 242.09632 152.5
[M+HCOO]- 304.09726 171.9
[M+CH3COO]- 318.11291 195.5
[M+Na-2H]- 280.07373 155.3
[M]+ 259.09851 160.0
[M]- 259.09961 160.0
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.