CID 58600463

Schembl2738871

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2OCC3=C1C=C(C=C3)O
InChI
InChI=1S/C19H21NO2/c1-20(2)11-5-7-16-17-6-3-4-8-19(17)22-13-14-9-10-15(21)12-18(14)16/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b16-7+
InChIKey
JCZHLWUPQBSZCM-FRKPEAEDSA-N
Compound name
(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 170.3
[M+Na]+ 318.14645 181.9
[M+NH4]+ 313.19105 178.3
[M+K]+ 334.12039 175.5
[M-H]- 294.14995 175.1
[M+Na-2H]- 316.13190 175.2
[M]+ 295.15668 173.4
[M]- 295.15778 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe