CID 131753084

Alkaloid a6

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(=C)CCl
InChI
InChI=1S/C19H16ClNO3/c1-10(9-20)15-7-12-16(24-15)8-14(22)17-18(12)21(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,22H,1,7,9H2,2H3
InChIKey
WVAGDJQCWBNFRK-UHFFFAOYSA-N
Compound name
2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08188 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 176.0
[M+Na]+ 364.07110 192.9
[M+NH4]+ 359.11570 184.8
[M+K]+ 380.04504 186.3
[M-H]- 340.07460 180.0
[M+Na-2H]- 362.05655 179.7
[M]+ 341.08133 180.0
[M]- 341.08243 180.0
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

No patent data available for this compound.