CID 3059086

Brn 5651178

Structural Information

Molecular Formula
C19H17N3O5
SMILES
CCOC1=CC=C(C=C1)C23C4=NC5=C(N4CC(O2)CO3)C=CC(=C5)[N+](=O)[O-]
InChI
InChI=1S/C19H17N3O5/c1-2-25-14-6-3-12(4-7-14)19-18-20-16-9-13(22(23)24)5-8-17(16)21(18)10-15(27-19)11-26-19/h3-9,15H,2,10-11H2,1H3
InChIKey
ADXJFDSCHDIDPV-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-6-nitro-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4(9),5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.11682 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12410 180.6
[M+Na]+ 390.10604 195.0
[M+NH4]+ 385.15064 190.0
[M+K]+ 406.07998 193.0
[M-H]- 366.10954 187.0
[M+Na-2H]- 388.09149 184.4
[M]+ 367.11627 184.6
[M]- 367.11737 184.6
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.