CID 206147

Dibenzo(a,e)cycloheptatrien-5-one, 1-(dimethylamino)methyl-2-methoxy-, hydrochloride

Structural Information

Molecular Formula
C19H19NO2
SMILES
CN(C)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H19NO2/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/h4-11H,12H2,1-3H3
InChIKey
QDHOMERKHHESIO-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-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 166.1
[M+Na]+ 316.13079 174.8
[M-H]- 292.13429 174.9
[M+NH4]+ 311.17539 183.8
[M+K]+ 332.10473 175.9
[M+H-H2O]+ 276.13883 160.8
[M+HCOO]- 338.13977 189.8
[M+CH3COO]- 352.15542 212.3
[M+Na-2H]- 314.11624 172.6
[M]+ 293.14102 169.4
[M]- 293.14212 169.4
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.