CID 3070466

86503-26-6

Structural Information

Molecular Formula
C8H15N3OS
SMILES
CN(C)CCCN1C(=O)CNC1=S
InChI
InChI=1S/C8H15N3OS/c1-10(2)4-3-5-11-7(12)6-9-8(11)13/h3-6H2,1-2H3,(H,9,13)
InChIKey
QCXFCDHVLOWDSH-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.09358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.100856 145.3
[M+Na]+ 224.082798 152.6
[M-H]- 200.086304 146.2
[M+NH4]+ 219.127403 164.1
[M+K]+ 240.056738 150.2
[M+H-H2O]+ 184.090840 138.5
[M+HCOO]- 246.091781 160.7
[M+CH3COO]- 260.107431 186.5
[M+Na-2H]- 222.068246 144.1
[M]+ 201.09303142 145.4
[M]- 201.09412858 145.4
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

patents stripe