CID 3046865

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

Structural Information

Molecular Formula
C19H21N
SMILES
CN(C)C1CCC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C19H21N/c1-20(2)17-13-12-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h3-11,14,17H,12-13H2,1-2H3
InChIKey
YDOHXXSVUANDDG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

263.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 161.4
[M+Na]+ 286.15662 166.3
[M-H]- 262.16012 170.9
[M+NH4]+ 281.20122 178.4
[M+K]+ 302.13056 166.7
[M+H-H2O]+ 246.16466 155.3
[M+HCOO]- 308.16560 183.4
[M+CH3COO]- 322.18125 173.0
[M+Na-2H]- 284.14207 166.7
[M]+ 263.16685 157.9
[M]- 263.16795 157.9
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