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]+ 378.17000 192.2
[M+Na]+ 400.15194 202.9
[M-H]- 376.15544 197.7
[M+NH4]+ 395.19654 206.3
[M+K]+ 416.12588 198.2
[M+H-H2O]+ 360.15998 181.8
[M+HCOO]- 422.16092 211.4
[M+CH3COO]- 436.17657 223.8
[M+Na-2H]- 398.13739 198.5
[M]+ 377.16217 202.4
[M]- 377.16327 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.