CID 3053072

6h-dibenz(b,f)oxiren(d)azepine-6-glyoxylamide, 1a,10b-dihydro-

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)C(=O)N
InChI
InChI=1S/C16H12N2O3/c17-15(19)16(20)18-11-7-3-1-5-9(11)13-14(21-13)10-6-2-4-8-12(10)18/h1-8,13-14H,(H2,17,19)
InChIKey
DWTSKYRANJXCKJ-UHFFFAOYSA-N
Compound name
2-(3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 157.9
[M+Na]+ 303.07400 167.5
[M-H]- 279.07750 165.2
[M+NH4]+ 298.11860 168.7
[M+K]+ 319.04794 167.8
[M+H-H2O]+ 263.08204 152.0
[M+HCOO]- 325.08298 175.0
[M+CH3COO]- 339.09863 169.1
[M+Na-2H]- 301.05945 164.9
[M]+ 280.08423 159.3
[M]- 280.08533 159.3
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.