CID 74603094

Chembl3638290

Structural Information

Molecular Formula
C19H21NO2
SMILES
CNCCC=C1C2=CC=CC=C2C(C(C3=CC=CC=C31)O)O
InChI
InChI=1S/C19H21NO2/c1-20-12-6-11-13-14-7-2-4-9-16(14)18(21)19(22)17-10-5-3-8-15(13)17/h2-5,7-11,18-22H,6,12H2,1H3
InChIKey
GKBCRWFSVWNWQQ-UHFFFAOYSA-N
Compound name
2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 168.2
[M+Na]+ 318.146448 174.1
[M-H]- 294.149954 172.3
[M+NH4]+ 313.191053 183.7
[M+K]+ 334.120388 172.6
[M+H-H2O]+ 278.154490 163.4
[M+HCOO]- 340.155431 185.8
[M+CH3COO]- 354.171081 178.2
[M+Na-2H]- 316.131896 172.9
[M]+ 295.15668142 164.2
[M]- 295.15777858 164.2
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.