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 161.5
[M+Na]+ 258.08894 171.5
[M-H]- 234.09244 165.9
[M+NH4]+ 253.13354 180.4
[M+K]+ 274.06288 166.9
[M+H-H2O]+ 218.09698 161.1
[M+HCOO]- 280.09792 173.5
[M+CH3COO]- 294.11357 171.6
[M+Na-2H]- 256.07439 171.1
[M]+ 235.09917 160.2
[M]- 235.10027 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.