CID 3059963

4,5,6,7-tetrahydro-n,2-diethyl-6-benzothiazolemethanamine hydrochloride

Structural Information

Molecular Formula
C12H20N2S
SMILES
CCC1=NC2=C(S1)CC(CC2)CNCC
InChI
InChI=1S/C12H20N2S/c1-3-12-14-10-6-5-9(8-13-4-2)7-11(10)15-12/h9,13H,3-8H2,1-2H3
InChIKey
IFRZMLXGVMVTCG-UHFFFAOYSA-N
Compound name
N-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.13472 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 150.4
[M+Na]+ 247.12394 157.4
[M-H]- 223.12744 153.2
[M+NH4]+ 242.16854 171.1
[M+K]+ 263.09788 153.8
[M+H-H2O]+ 207.13198 144.1
[M+HCOO]- 269.13292 166.4
[M+CH3COO]- 283.14857 191.9
[M+Na-2H]- 245.10939 151.8
[M]+ 224.13417 151.2
[M]- 224.13527 151.2
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

patents stripe