CID 371251

Nsc645309

Structural Information

Molecular Formula
C23H24NO5
SMILES
COC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC
InChI
InChI=1S/C23H24NO5/c1-25-13-24-12-15-9-20(27-3)21(28-4)10-17(15)16-7-6-14-8-19(26-2)22(29-5)11-18(14)23(16)24/h6-12H,13H2,1-5H3/q+1
InChIKey
GYOROUADNUXACI-UHFFFAOYSA-N
Compound name
2,3,8,9-tetramethoxy-5-(methoxymethyl)benzo[c]phenanthridin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16544 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17272 199.5
[M+Na]+ 417.15466 210.1
[M-H]- 393.15816 205.6
[M+NH4]+ 412.19926 212.6
[M+K]+ 433.12860 200.9
[M+H-H2O]+ 377.16270 191.5
[M+HCOO]- 439.16364 218.1
[M+CH3COO]- 453.17929 220.5
[M+Na-2H]- 415.14011 207.4
[M]+ 394.16489 210.1
[M]- 394.16599 210.1
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.