CID 308840

Nsc210940

Structural Information

Molecular Formula
C14H16N2O5
SMILES
COC1C2C(N2C(=O)N)C3C(O1)COC4=CC=CC=C4O3
InChI
InChI=1S/C14H16N2O5/c1-18-13-11-10(16(11)14(15)17)12-9(21-13)6-19-7-4-2-3-5-8(7)20-12/h2-5,9-13H,6H2,1H3,(H2,15,17)
InChIKey
XPKFKYCMXOMBQD-UHFFFAOYSA-N
Compound name
13-methoxy-2,9,12-trioxa-15-azatetracyclo[9.5.0.03,8.014,16]hexadeca-3,5,7-triene-15-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 160.4
[M+Na]+ 315.09515 168.7
[M-H]- 291.09865 168.3
[M+NH4]+ 310.13975 168.2
[M+K]+ 331.06909 172.4
[M+H-H2O]+ 275.10319 153.5
[M+HCOO]- 337.10413 172.7
[M+CH3COO]- 351.11978 170.9
[M+Na-2H]- 313.08060 167.1
[M]+ 292.10538 162.8
[M]- 292.10648 162.8
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.