CID 378813

Nsc662131

Structural Information

Molecular Formula
C21H21NO3
SMILES
CCC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C
InChI
InChI=1S/C21H21NO3/c1-5-21(2)11-10-14-16(25-21)12-17(24-4)18-19(14)22(3)15-9-7-6-8-13(15)20(18)23/h6-12H,5H2,1-4H3
InChIKey
PKUQXCJIJWWZFK-UHFFFAOYSA-N
Compound name
3-ethyl-6-methoxy-3,12-dimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15213 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 179.8
[M+Na]+ 358.14135 192.5
[M-H]- 334.14485 186.6
[M+NH4]+ 353.18595 196.7
[M+K]+ 374.11529 188.2
[M+H-H2O]+ 318.14939 170.2
[M+HCOO]- 380.15033 197.6
[M+CH3COO]- 394.16598 192.0
[M+Na-2H]- 356.12680 187.7
[M]+ 335.15158 187.0
[M]- 335.15268 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.