CID 80889

Dtxsid20884309

Structural Information

Molecular Formula
C18H18N2O5
SMILES
CCOC(=O)C1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)C(=O)OCC)[O-]
InChI
InChI=1S/C18H18N2O5/c1-3-24-17(21)13-5-9-15(10-6-13)19-20(23)16-11-7-14(8-12-16)18(22)25-4-2/h5-12H,3-4H2,1-2H3
InChIKey
LOOVRYZFUGHEMF-UHFFFAOYSA-N
Compound name
(4-ethoxycarbonylphenyl)-(4-ethoxycarbonylphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

342.12158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12886 180.0
[M+Na]+ 365.11080 184.3
[M-H]- 341.11430 187.6
[M+NH4]+ 360.15540 192.3
[M+K]+ 381.08474 178.4
[M+H-H2O]+ 325.11884 175.3
[M+HCOO]- 387.11978 205.4
[M+CH3COO]- 401.13543 209.0
[M+Na-2H]- 363.09625 184.2
[M]+ 342.12103 182.3
[M]- 342.12213 182.3
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