CID 67319009

(z)-2-hydroxy doxepin

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)O
InChI
InChI=1S/C19H21NO2/c1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(21)12-18(17)19/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b17-8-
InChIKey
GRQPGTWGEQWMMM-IUXPMGMMSA-N
Compound name
(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

295.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 167.7
[M+Na]+ 318.146448 173.5
[M-H]- 294.149954 174.7
[M+NH4]+ 313.191053 183.1
[M+K]+ 334.120388 174.6
[M+H-H2O]+ 278.154490 162.3
[M+HCOO]- 340.155431 186.5
[M+CH3COO]- 354.171081 178.7
[M+Na-2H]- 316.131896 173.4
[M]+ 295.15668142 166.7
[M]- 295.15777858 166.7
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