CID 3046877

7-methylamino-5-phenyl-6,7,8,9-tetrahydro(5h)benzocycloheptene hydrochloride

Structural Information

Molecular Formula
C18H21N
SMILES
CNC1CCC2=CC=CC=C2C(C1)C3=CC=CC=C3
InChI
InChI=1S/C18H21N/c1-19-16-12-11-15-9-5-6-10-17(15)18(13-16)14-7-3-2-4-8-14/h2-10,16,18-19H,11-13H2,1H3
InChIKey
MZEUCORFSJWAPO-UHFFFAOYSA-N
Compound name
N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 160.8
[M+Na]+ 274.15662 173.2
[M+NH4]+ 269.20122 170.4
[M+K]+ 290.13056 165.3
[M-H]- 250.16012 167.1
[M+Na-2H]- 272.14207 169.6
[M]+ 251.16685 164.6
[M]- 251.16795 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe