CID 126280

Indatraline

Structural Information

Molecular Formula
C16H15Cl2N
SMILES
CN[C@@H]1C[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m0/s1
InChIKey
SVFXPTLYMIXFRX-XJKSGUPXSA-N
Compound name
(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

57
References

102
Patents

291.05817 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06545 167.3
[M+Na]+ 314.04739 177.5
[M-H]- 290.05089 174.3
[M+NH4]+ 309.09199 187.1
[M+K]+ 330.02133 169.5
[M+H-H2O]+ 274.05543 161.6
[M+HCOO]- 336.05637 181.3
[M+CH3COO]- 350.07202 179.4
[M+Na-2H]- 312.03284 169.5
[M]+ 291.05762 169.5
[M]- 291.05872 169.5
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