CID 3046867

5h-benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-n,n-dimethyl-5-phenyl-, hydrochloride, cis-

Structural Information

Molecular Formula
C19H23N
SMILES
CN(C)[C@@H]1CCC2=CC=CC=C2[C@@H](C1)C3=CC=CC=C3
InChI
InChI=1S/C19H23N/c1-20(2)17-13-12-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h3-11,17,19H,12-14H2,1-2H3/t17-,19+/m1/s1
InChIKey
WUBABGHLEBDGMP-MJGOQNOKSA-N
Compound name
(5S,7R)-N,N-dimethyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.18304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.190316 162.2
[M+Na]+ 288.172258 166.0
[M-H]- 264.175764 171.2
[M+NH4]+ 283.216863 179.0
[M+K]+ 304.146198 166.4
[M+H-H2O]+ 248.180300 155.9
[M+HCOO]- 310.181241 182.8
[M+CH3COO]- 324.196891 173.3
[M+Na-2H]- 286.157706 166.5
[M]+ 265.18249142 157.3
[M]- 265.18358858 157.3
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

No patent data available for this compound.