CID 494186

Nsc246014

Structural Information

Molecular Formula
C21H20NO4
SMILES
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)O)OC)OC
InChI
InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)10-15(13)14-6-5-12-7-18(24-2)17(23)9-16(12)21(14)22/h5-11H,1-4H3/p+1
InChIKey
IRDGPROXZSEVTI-UHFFFAOYSA-O
Compound name
2,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13922 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14650 186.4
[M+Na]+ 373.12844 197.9
[M-H]- 349.13194 191.7
[M+NH4]+ 368.17304 201.0
[M+K]+ 389.10238 187.6
[M+H-H2O]+ 333.13648 179.7
[M+HCOO]- 395.13742 204.3
[M+CH3COO]- 409.15307 210.3
[M+Na-2H]- 371.11389 195.0
[M]+ 350.13867 193.5
[M]- 350.13977 193.5
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.