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 157.6
[M+Na]+ 272.14097 162.7
[M-H]- 248.14447 165.8
[M+NH4]+ 267.18557 174.5
[M+K]+ 288.11491 162.0
[M+H-H2O]+ 232.14901 151.8
[M+HCOO]- 294.14995 179.4
[M+CH3COO]- 308.16560 169.1
[M+Na-2H]- 270.12642 164.1
[M]+ 249.15120 152.6
[M]- 249.15230 152.6
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