CID 13408707

3-dechloro sertraline hydrochloride

Structural Information

Molecular Formula
C17H18ClN
SMILES
CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H18ClN/c1-19-17-11-10-14(12-6-8-13(18)9-7-12)15-4-2-3-5-16(15)17/h2-9,14,17,19H,10-11H2,1H3/t14-,17-/m0/s1
InChIKey
LLMOMOOMHWFGRN-YOEHRIQHSA-N
Compound name
(1S,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

271.11276 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12004 161.9
[M+Na]+ 294.10198 178.3
[M+NH4]+ 289.14658 173.1
[M+K]+ 310.07592 167.6
[M-H]- 270.10548 169.3
[M+Na-2H]- 292.08743 171.7
[M]+ 271.11221 166.9
[M]- 271.11331 166.9
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