CID 5469306

Nsc685506

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1/C(=C\C(=O)NC(=O)C2=C1C3=CC=CC=C3OC2=O)/N
InChI
InChI=1S/C14H10N2O4/c15-7-5-9-8-3-1-2-4-10(8)20-14(19)12(9)13(18)16-11(17)6-7/h1-4,6H,5,15H2,(H,16,17,18)/b7-6+
InChIKey
MECZVRVAJCTKEB-VOTSOKGWSA-N
Compound name
(14E)-15-amino-8-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,14-pentaene-9,11,13-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 161.8
[M+Na]+ 293.05328 168.3
[M-H]- 269.05678 163.8
[M+NH4]+ 288.09788 168.6
[M+K]+ 309.02722 167.4
[M+H-H2O]+ 253.06132 157.4
[M+HCOO]- 315.06226 169.9
[M+CH3COO]- 329.07791 166.4
[M+Na-2H]- 291.03873 162.4
[M]+ 270.06351 161.5
[M]- 270.06461 161.5
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.