CID 28298

17124-75-3

Structural Information

Molecular Formula
C9H19N3S
SMILES
CCN(CC)CCSC1=NCCN1
InChI
InChI=1S/C9H19N3S/c1-3-12(4-2)7-8-13-9-10-5-6-11-9/h3-8H2,1-2H3,(H,10,11)
InChIKey
UDAYLABGJCKNED-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.12997 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13725 146.9
[M+Na]+ 224.11919 155.3
[M+NH4]+ 219.16379 154.7
[M+K]+ 240.09313 149.2
[M-H]- 200.12269 147.7
[M+Na-2H]- 222.10464 150.3
[M]+ 201.12942 148.5
[M]- 201.13052 148.5
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.