CID 296522

2,3,8,9-tetramethoxybenzo(c)phenanthridine

Structural Information

Molecular Formula
C21H19NO4
SMILES
COC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OC
InChI
InChI=1S/C21H19NO4/c1-23-17-7-12-5-6-14-15-9-19(25-3)18(24-2)8-13(15)11-22-21(14)16(12)10-20(17)26-4/h5-11H,1-4H3
InChIKey
MENTXTUAYRNMRW-UHFFFAOYSA-N
Compound name
2,3,8,9-tetramethoxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.1314 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 182.8
[M+Na]+ 372.12062 194.4
[M-H]- 348.12412 188.7
[M+NH4]+ 367.16522 198.1
[M+K]+ 388.09456 190.1
[M+H-H2O]+ 332.12866 172.8
[M+HCOO]- 394.12960 202.7
[M+CH3COO]- 408.14525 194.5
[M+Na-2H]- 370.10607 190.2
[M]+ 349.13085 192.3
[M]- 349.13195 192.3
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.