CID 206152

1-(dimethylamino)methyl-2-methoxydibenzo(a,e)cycloheptatrien-5-ol hydrochloride

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2O)OC
InChI
InChI=1S/C19H21NO2/c1-20(2)12-17-15-9-8-13-6-4-5-7-14(13)19(21)16(15)10-11-18(17)22-3/h4-11,19,21H,12H2,1-3H3
InChIKey
HEDHLABVCGGXKY-UHFFFAOYSA-N
Compound name
7-[(dimethylamino)methyl]-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 167.5
[M+Na]+ 318.14645 174.5
[M-H]- 294.14995 174.6
[M+NH4]+ 313.19105 184.4
[M+K]+ 334.12039 175.6
[M+H-H2O]+ 278.15449 162.3
[M+HCOO]- 340.15543 188.2
[M+CH3COO]- 354.17108 211.0
[M+Na-2H]- 316.13190 172.8
[M]+ 295.15668 168.4
[M]- 295.15778 168.4
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

No patent data available for this compound.