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]+ 225.141996 150.4
[M+Na]+ 247.123938 157.4
[M-H]- 223.127444 153.2
[M+NH4]+ 242.168543 171.1
[M+K]+ 263.097878 153.8
[M+H-H2O]+ 207.131980 144.1
[M+HCOO]- 269.132921 166.4
[M+CH3COO]- 283.148571 191.9
[M+Na-2H]- 245.109386 151.8
[M]+ 224.13417142 151.2
[M]- 224.13526858 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