CID 5317838

Gravacridonolchlorine

Structural Information

Molecular Formula

C₁₉H₁₈ClNO₅

SMILES

CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(CO)Cl

InChI

InChI=1S/C19H18ClNO5/c1-21-12-5-3-2-4-10(12)18(25)16-13(24)7-14-11(17(16)21)6-15(26-14)19(20,8-22)9-23/h2-5,7,15,22-24H,6,8-9H2,1H3

InChIKey

OYGSTYGNRLPAMK-UHFFFAOYSA-N

Compound name

2-(2-chloro-1,3-dihydroxypropan-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: 375.08734 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	376.094616	185.3
[M+Na]+	398.076558	196.9
[M-H]-	374.080064	188.4
[M+NH4]+	393.121163	199.3
[M+K]+	414.050498	191.4
[M+H-H2O]+	358.084600	180.0
[M+HCOO]-	420.085541	194.4
[M+CH3COO]-	434.101191	195.7
[M+Na-2H]-	396.062006	190.5
[M]+	375.08679142	192.1
[M]-	375.08788858	192.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe