CID 3046875

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

Structural Information

Molecular Formula
C18H19N
SMILES
CNC1CCC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C18H19N/c1-19-16-12-11-15-9-5-6-10-17(15)18(13-16)14-7-3-2-4-8-14/h2-10,13,16,19H,11-12H2,1H3
InChIKey
VCGDNHIWYUGTPM-UHFFFAOYSA-N
Compound name
N-methyl-5-phenyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 159.7
[M+Na]+ 272.14097 172.9
[M+NH4]+ 267.18557 169.3
[M+K]+ 288.11491 164.7
[M-H]- 248.14447 166.1
[M+Na-2H]- 270.12642 169.3
[M]+ 249.15120 163.6
[M]- 249.15230 163.6
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