CID 14805775

Gravacridonol

Structural Information

Molecular Formula
C19H17NO4
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(=C)CO
InChI
InChI=1S/C19H17NO4/c1-10(9-21)15-7-12-16(24-15)8-14(22)17-18(12)20(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,21-22H,1,7,9H2,2H3
InChIKey
LTIJMFZBJZDNOD-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-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

323.11575 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 173.5
[M+Na]+ 346.10497 184.8
[M-H]- 322.10847 177.9
[M+NH4]+ 341.14957 189.3
[M+K]+ 362.07891 179.8
[M+H-H2O]+ 306.11301 166.9
[M+HCOO]- 368.11395 189.3
[M+CH3COO]- 382.12960 185.0
[M+Na-2H]- 344.09042 177.1
[M]+ 323.11520 177.5
[M]- 323.11630 177.5
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.