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

2
Patents

251.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.174676 158.4
[M+Na]+ 274.156618 162.5
[M-H]- 250.160124 166.2
[M+NH4]+ 269.201223 175.1
[M+K]+ 290.130558 161.8
[M+H-H2O]+ 234.164660 152.4
[M+HCOO]- 296.165601 178.8
[M+CH3COO]- 310.181251 169.3
[M+Na-2H]- 272.142066 163.9
[M]+ 251.16685142 152.0
[M]- 251.16794858 152.0
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