CID 345512

Acronine

Structural Information

Molecular Formula
C20H19NO3
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C
InChI
InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
InChIKey
SMPZPKRDRQOOHT-UHFFFAOYSA-N
Compound name
6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

105
References

12457
Patents

321.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 174.5
[M+Na]+ 344.12572 193.4
[M+NH4]+ 339.17032 185.4
[M+K]+ 360.09966 182.3
[M-H]- 320.12922 180.4
[M+Na-2H]- 342.11117 182.3
[M]+ 321.13595 179.5
[M]- 321.13705 179.5
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

patents stripe