CID 2555

36507-30-9

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N
InChI
InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
InChIKey
ZRWWEEVEIOGMMT-UHFFFAOYSA-N
Compound name
3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

337
References

1322
Patents

252.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 151.4
[M+Na]+ 275.07909 161.6
[M-H]- 251.08259 158.8
[M+NH4]+ 270.12369 163.5
[M+K]+ 291.05303 161.5
[M+H-H2O]+ 235.08713 145.6
[M+HCOO]- 297.08807 169.5
[M+CH3COO]- 311.10372 163.3
[M+Na-2H]- 273.06454 159.9
[M]+ 252.08932 152.4
[M]- 252.09042 152.4
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