CID 500503

6,11-dimethoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(N3C)C(=CC=C4)OC)C
InChI
InChI=1S/C21H21NO4/c1-21(2)10-9-12-15(26-21)11-16(25-5)17-19(12)22(3)18-13(20(17)23)7-6-8-14(18)24-4/h6-11H,1-5H3
InChIKey
FLCIHNYWCOSFMT-UHFFFAOYSA-N
Compound name
6,11-dimethoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.0
[M+Na]+ 374.13628 196.3
[M-H]- 350.13978 190.1
[M+NH4]+ 369.18088 199.4
[M+K]+ 390.11022 192.9
[M+H-H2O]+ 334.14432 173.4
[M+HCOO]- 396.14526 200.8
[M+CH3COO]- 410.16091 195.3
[M+Na-2H]- 372.12173 190.4
[M]+ 351.14651 192.0
[M]- 351.14761 192.0
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.