CID 3015694

(bis(dimethylamino)methylene)dimethylthiourea

Structural Information

Molecular Formula
C8H18N4S
SMILES
CN(C)C(=NC(=S)N(C)C)N(C)C
InChI
InChI=1S/C8H18N4S/c1-10(2)7(11(3)4)9-8(13)12(5)6/h1-6H3
InChIKey
GGNRRWRAKZQSKG-UHFFFAOYSA-N
Compound name
3-[bis(dimethylamino)methylidene]-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.12521 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.132486 150.2
[M+Na]+ 225.114428 154.3
[M-H]- 201.117934 156.1
[M+NH4]+ 220.159033 171.2
[M+K]+ 241.088368 157.0
[M+H-H2O]+ 185.122470 142.4
[M+HCOO]- 247.123411 172.5
[M+CH3COO]- 261.139061 206.3
[M+Na-2H]- 223.099876 150.0
[M]+ 202.12466142 153.5
[M]- 202.12575858 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe