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

6
Patents

263.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.174676 161.4
[M+Na]+ 286.156618 166.3
[M-H]- 262.160124 170.9
[M+NH4]+ 281.201223 178.4
[M+K]+ 302.130558 166.7
[M+H-H2O]+ 246.164660 155.3
[M+HCOO]- 308.165601 183.4
[M+CH3COO]- 322.181251 173.0
[M+Na-2H]- 284.142066 166.7
[M]+ 263.16685142 157.9
[M]- 263.16794858 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