CID 10790783

Ethoxy(methoxy)[?]

Structural Information

Molecular Formula
C21H20NO4
SMILES
CCOC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)OC
InChI
InChI=1S/C21H20NO4/c1-3-24-21-16-11-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13(16)4-5-18(21)23-2/h4-5,8-11H,3,6-7,12H2,1-2H3/q+1
InChIKey
XXOBQDKCHCDZQI-UHFFFAOYSA-N
Compound name
16-ethoxy-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

350.13922 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14650 182.3
[M+Na]+ 373.12844 191.1
[M-H]- 349.13194 189.6
[M+NH4]+ 368.17304 196.8
[M+K]+ 389.10238 183.1
[M+H-H2O]+ 333.13648 176.0
[M+HCOO]- 395.13742 196.2
[M+CH3COO]- 409.15307 192.8
[M+Na-2H]- 371.11389 190.4
[M]+ 350.13867 186.7
[M]- 350.13977 186.7
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