CID 371230

Nsc645288

Structural Information

Molecular Formula
C23H23NO4
SMILES
CCOC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OCC
InChI
InChI=1S/C23H23NO4/c1-5-27-21-9-14-7-8-16-17-11-20(26-4)19(25-3)10-15(17)13-24-23(16)18(14)12-22(21)28-6-2/h7-13H,5-6H2,1-4H3
InChIKey
HVAYLLRCKOVVQS-UHFFFAOYSA-N
Compound name
2,3-diethoxy-8,9-dimethoxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 192.2
[M+Na]+ 400.151938 202.9
[M-H]- 376.155444 197.7
[M+NH4]+ 395.196543 206.3
[M+K]+ 416.125878 198.2
[M+H-H2O]+ 360.159980 181.8
[M+HCOO]- 422.160921 211.4
[M+CH3COO]- 436.176571 223.8
[M+Na-2H]- 398.137386 198.5
[M]+ 377.16217142 202.4
[M]- 377.16326858 202.4
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.