CID 5486900

Isogravacridonechlorine

Structural Information

Molecular Formula
C19H18ClNO4
SMILES
CC(CCl)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O
InChI
InChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3
InChIKey
PGOOUZZLZBIMRI-UHFFFAOYSA-N
Compound name
2-(1-chloro-2-hydroxypropan-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

2
References

0
Patents

359.09244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09972 183.2
[M+Na]+ 382.08166 195.6
[M-H]- 358.08516 187.6
[M+NH4]+ 377.12626 198.7
[M+K]+ 398.05560 189.9
[M+H-H2O]+ 342.08970 177.6
[M+HCOO]- 404.09064 193.6
[M+CH3COO]- 418.10629 194.4
[M+Na-2H]- 380.06711 188.4
[M]+ 359.09189 190.3
[M]- 359.09299 190.3
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.