CID 130099

124070-15-1

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1C2C3=CC=CC=C3C(N2)(C4=CC=CC=C41)C(=O)N
InChI
InChI=1S/C16H14N2O/c17-15(19)16-12-7-3-1-5-10(12)9-14(18-16)11-6-2-4-8-13(11)16/h1-8,14,18H,9H2,(H2,17,19)
InChIKey
IFLVGRRVGPXYON-UHFFFAOYSA-N
Compound name
16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1028
Patents

250.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 155.2
[M+Na]+ 273.099828 163.5
[M-H]- 249.103334 157.0
[M+NH4]+ 268.144433 177.0
[M+K]+ 289.073768 157.1
[M+H-H2O]+ 233.107870 148.3
[M+HCOO]- 295.108811 171.4
[M+CH3COO]- 309.124461 166.3
[M+Na-2H]- 271.085276 162.4
[M]+ 250.11006142 152.0
[M]- 250.11115858 152.0
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