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 181.0
[M+Na]+ 382.08166 196.7
[M+NH4]+ 377.12626 189.0
[M+K]+ 398.05560 191.6
[M-H]- 358.08516 183.9
[M+Na-2H]- 380.06711 184.1
[M]+ 359.09189 184.6
[M]- 359.09299 184.6
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.