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]+ 236.106996 161.5
[M+Na]+ 258.088938 171.5
[M-H]- 234.092444 165.9
[M+NH4]+ 253.133543 180.4
[M+K]+ 274.062878 166.9
[M+H-H2O]+ 218.096980 161.1
[M+HCOO]- 280.097921 173.5
[M+CH3COO]- 294.113571 171.6
[M+Na-2H]- 256.074386 171.1
[M]+ 235.09917142 160.2
[M]- 235.10026858 160.2
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.