CID 72110

Manozodil hydrochloride

Structural Information

Molecular Formula
C10H16N2S
SMILES
CC1=NC2=C(S1)CCC(C2)CNC
InChI
InChI=1S/C10H16N2S/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7/h8,11H,3-6H2,1-2H3
InChIKey
OFSPYMGCSOTXQN-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

196.10342 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11070 142.2
[M+Na]+ 219.09264 152.8
[M+NH4]+ 214.13724 152.2
[M+K]+ 235.06658 145.6
[M-H]- 195.09614 145.2
[M+Na-2H]- 217.07809 146.6
[M]+ 196.10287 144.9
[M]- 196.10397 144.9
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