CID 67319009

(e)-2-hydroxydoxepin

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

48
Patents

295.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 167.7
[M+Na]+ 318.14645 173.5
[M-H]- 294.14995 174.7
[M+NH4]+ 313.19105 183.1
[M+K]+ 334.12039 174.6
[M+H-H2O]+ 278.15449 162.3
[M+HCOO]- 340.15543 186.5
[M+CH3COO]- 354.17108 178.7
[M+Na-2H]- 316.13190 173.4
[M]+ 295.15668 166.7
[M]- 295.15778 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