CID 5479541

13396-93-5

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2NC4=CC=CC=C4C3=O)O)C
InChI
InChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21)
InChIKey
RPWNPBFZWFWZNJ-UHFFFAOYSA-N
Compound name
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

293.1052 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 166.1
[M+Na]+ 316.09442 178.7
[M-H]- 292.09792 170.5
[M+NH4]+ 311.13902 183.3
[M+K]+ 332.06836 173.3
[M+H-H2O]+ 276.10246 157.9
[M+HCOO]- 338.10340 182.2
[M+CH3COO]- 352.11905 178.1
[M+Na-2H]- 314.07987 175.8
[M]+ 293.10465 168.7
[M]- 293.10575 168.7
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

patents stripe