CID 21735

2-((2-(dimethylamino)ethyl)thio)-2-imidazoline dihydrobromide

Structural Information

Molecular Formula
C7H15N3S
SMILES
CN(C)CCSC1=NCCN1
InChI
InChI=1S/C7H15N3S/c1-10(2)5-6-11-7-8-3-4-9-7/h3-6H2,1-2H3,(H,8,9)
InChIKey
RIHWDXYOYAYZBU-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.09866 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10594 138.0
[M+Na]+ 196.08788 144.6
[M-H]- 172.09138 138.8
[M+NH4]+ 191.13248 157.8
[M+K]+ 212.06182 143.2
[M+H-H2O]+ 156.09592 130.8
[M+HCOO]- 218.09686 154.7
[M+CH3COO]- 232.11251 180.0
[M+Na-2H]- 194.07333 139.5
[M]+ 173.09811 138.3
[M]- 173.09921 138.3
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