CID 371254

Nsc645311

Structural Information

Molecular Formula
C23H24NO4
SMILES
CCOC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)[N+](=CC2=C1)C)OC
InChI
InChI=1S/C23H24NO4/c1-6-28-22-10-15-13-24(2)23-16(17(15)11-21(22)27-5)8-7-14-9-19(25-3)20(26-4)12-18(14)23/h7-13H,6H2,1-5H3/q+1
InChIKey
MEKHWCCMHFCEDJ-UHFFFAOYSA-N
Compound name
8-ethoxy-2,3,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.17053 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17781 196.4
[M+Na]+ 401.15975 207.4
[M-H]- 377.16325 202.6
[M+NH4]+ 396.20435 210.4
[M+K]+ 417.13369 197.4
[M+H-H2O]+ 361.16779 188.7
[M+HCOO]- 423.16873 215.0
[M+CH3COO]- 437.18438 218.4
[M+Na-2H]- 399.14520 204.1
[M]+ 378.16998 205.7
[M]- 378.17108 205.7
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.