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]+ 266.19032 162.2
[M+Na]+ 288.17226 166.0
[M-H]- 264.17576 171.2
[M+NH4]+ 283.21686 179.0
[M+K]+ 304.14620 166.4
[M+H-H2O]+ 248.18030 155.9
[M+HCOO]- 310.18124 182.8
[M+CH3COO]- 324.19689 173.3
[M+Na-2H]- 286.15771 166.5
[M]+ 265.18249 157.3
[M]- 265.18359 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.