CID 122196585

Chembl3638291

Structural Information

Molecular Formula
C19H21NO2
SMILES
CNCC/C=C\1/C2=C(CC(C3=CC=CC=C31)O)C=C(C=C2)O
InChI
InChI=1S/C19H21NO2/c1-20-10-4-7-16-15-9-8-14(21)11-13(15)12-19(22)18-6-3-2-5-17(16)18/h2-3,5-9,11,19-22H,4,10,12H2,1H3/b16-7-
InChIKey
AVWDSLYNHVKVAE-APSNUPSMSA-N
Compound name
(2Z)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 167.8
[M+Na]+ 318.14645 178.7
[M+NH4]+ 313.19105 175.4
[M+K]+ 334.12039 172.3
[M-H]- 294.14995 170.7
[M+Na-2H]- 316.13190 172.4
[M]+ 295.15668 170.2
[M]- 295.15778 170.2
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

No patent data available for this compound.