CID 6434978

10,11,12-trihydro-5h-dibenzo(a,d)cyclooctene-5-carboxamide

Structural Information

Molecular Formula
C17H17NO
SMILES
C1CC2=C(C=C1)/C=C\C(C3=CC=CC=C3C2)C(=O)N
InChI
InChI=1S/C17H17NO/c18-17(19)16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16H,2,6,11H2,(H2,18,19)/b10-9-
InChIKey
CIOLACDVLHSTNF-KTKRTIGZSA-N
Compound name
(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 159.9
[M+Na]+ 274.12023 164.5
[M-H]- 250.12373 162.1
[M+NH4]+ 269.16483 168.2
[M+K]+ 290.09417 163.3
[M+H-H2O]+ 234.12827 155.7
[M+HCOO]- 296.12921 168.5
[M+CH3COO]- 310.14486 164.3
[M+Na-2H]- 272.10568 160.2
[M]+ 251.13046 158.2
[M]- 251.13156 158.2
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.