CID 476777

Ethoxidine

Structural Information

Molecular Formula
C24H26NO5
SMILES
CCOC1=CC2=C(C3=CC(=C(C=C31)OC)OC)[N+](=CC4=CC(=C(C=C42)OC)OC)C
InChI
InChI=1S/C24H26NO5/c1-7-30-19-11-17-15-9-21(27-4)20(26-3)8-14(15)13-25(2)24(17)18-12-23(29-6)22(28-5)10-16(18)19/h8-13H,7H2,1-6H3/q+1
InChIKey
IIATUSCNYYSFNW-UHFFFAOYSA-N
Compound name
12-ethoxy-2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

23
Patents

408.1811 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18838 204.6
[M+Na]+ 431.17032 215.5
[M-H]- 407.17382 210.8
[M+NH4]+ 426.21492 217.4
[M+K]+ 447.14426 206.3
[M+H-H2O]+ 391.17836 196.5
[M+HCOO]- 453.17930 222.8
[M+CH3COO]- 467.19495 224.7
[M+Na-2H]- 429.15577 211.2
[M]+ 408.18055 215.8
[M]- 408.18165 215.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe