CID 3005232

Nsc684387

Structural Information

Molecular Formula
C14H19N3OS
SMILES
CCC(C1C(=O)NC(=S)N1)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H19N3OS/c1-4-11(12-13(18)16-14(19)15-12)9-5-7-10(8-6-9)17(2)3/h5-8,11-12H,4H2,1-3H3,(H2,15,16,18,19)
InChIKey
HYQPBFIAYWLAFH-UHFFFAOYSA-N
Compound name
5-[1-[4-(dimethylamino)phenyl]propyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13216 165.2
[M+Na]+ 300.11410 171.5
[M-H]- 276.11760 168.0
[M+NH4]+ 295.15870 180.1
[M+K]+ 316.08804 166.5
[M+H-H2O]+ 260.12214 157.8
[M+HCOO]- 322.12308 177.8
[M+CH3COO]- 336.13873 199.6
[M+Na-2H]- 298.09955 161.7
[M]+ 277.12433 163.2
[M]- 277.12543 163.2
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.