CID 9908126

Uk-373911

Structural Information

Molecular Formula
C17H18Cl2N2O2S
SMILES
CN[C@H]1CC[C@H](C2=C1C=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
InChIKey
HGBGXSPIBLZGHS-SJCJKPOMSA-N
Compound name
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

384.0466 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05388 184.3
[M+Na]+ 407.03582 193.4
[M-H]- 383.03932 190.9
[M+NH4]+ 402.08042 198.6
[M+K]+ 423.00976 185.8
[M+H-H2O]+ 367.04386 179.1
[M+HCOO]- 429.04480 190.5
[M+CH3COO]- 443.06045 219.2
[M+Na-2H]- 405.02127 186.1
[M]+ 384.04605 187.1
[M]- 384.04715 187.1
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