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

6
Patents

249.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.159026 157.6
[M+Na]+ 272.140968 162.7
[M-H]- 248.144474 165.8
[M+NH4]+ 267.185573 174.5
[M+K]+ 288.114908 162.0
[M+H-H2O]+ 232.149010 151.8
[M+HCOO]- 294.149951 179.4
[M+CH3COO]- 308.165601 169.1
[M+Na-2H]- 270.126416 164.1
[M]+ 249.15120142 152.6
[M]- 249.15229858 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