CID 213727

Brn 1536441

Structural Information

Molecular Formula
C16H13NO
SMILES
C1C2C3=CC=CC=C3C(C4=CC=CC=C41)NC2=O
InChI
InChI=1S/C16H13NO/c18-16-14-9-10-5-1-2-6-11(10)15(17-16)13-8-4-3-7-12(13)14/h1-8,14-15H,9H2,(H,17,18)
InChIKey
KCXUMFSXWJNUBO-UHFFFAOYSA-N
Compound name
16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 144.9
[M+Na]+ 258.08894 153.3
[M+NH4]+ 253.13354 152.6
[M+K]+ 274.06288 149.6
[M-H]- 234.09244 145.4
[M+Na-2H]- 256.07439 147.1
[M]+ 235.09917 146.4
[M]- 235.10027 146.4
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.