CID 205526

Pseudourea, 1,3-dimethyl-2-(2-(dimethylamino)ethyl)-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C7H17N3S
SMILES
CNC(=NC)SCCN(C)C
InChI
InChI=1S/C7H17N3S/c1-8-7(9-2)11-6-5-10(3)4/h5-6H2,1-4H3,(H,8,9)
InChIKey
WRPJJYCUHPKEHF-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N,N'-dimethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.11432 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12160 140.9
[M+Na]+ 198.10354 145.8
[M-H]- 174.10704 143.8
[M+NH4]+ 193.14814 162.1
[M+K]+ 214.07748 146.1
[M+H-H2O]+ 158.11158 134.0
[M+HCOO]- 220.11252 162.6
[M+CH3COO]- 234.12817 192.7
[M+Na-2H]- 196.08899 143.2
[M]+ 175.11377 143.6
[M]- 175.11487 143.6
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

patents stripe