CID 387178

2,3,8-trimethoxybenzo(c)phenanthridine

Structural Information

Molecular Formula
C20H17NO3
SMILES
COC1=CC2=CN=C3C(=C2C=C1)C=CC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C20H17NO3/c1-22-14-5-7-15-13(8-14)11-21-20-16(15)6-4-12-9-18(23-2)19(24-3)10-17(12)20/h4-11H,1-3H3
InChIKey
ODTIETJGJCIYGE-UHFFFAOYSA-N
Compound name
2,3,8-trimethoxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 174.4
[M+Na]+ 342.11007 186.0
[M-H]- 318.11357 180.3
[M+NH4]+ 337.15467 190.9
[M+K]+ 358.08401 181.0
[M+H-H2O]+ 302.11811 164.8
[M+HCOO]- 364.11905 194.7
[M+CH3COO]- 378.13470 186.6
[M+Na-2H]- 340.09552 183.1
[M]+ 319.12030 181.9
[M]- 319.12140 181.9
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.