CID 3039377

Dl-12-carbamoyl-10,11-dihydro-5,10-imino-(5h)-dibenzo(a,d)cycloheptene

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1C2C3=CC=CC=C3C(N2C(=O)N)C4=CC=CC=C41
InChI
InChI=1S/C16H14N2O/c17-16(19)18-14-9-10-5-1-2-6-11(10)15(18)13-8-4-3-7-12(13)14/h1-8,14-15H,9H2,(H2,17,19)
InChIKey
GRIILJGVJPFMHO-UHFFFAOYSA-N
Compound name
16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-16-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 154.4
[M+Na]+ 273.09983 162.9
[M-H]- 249.10333 157.6
[M+NH4]+ 268.14443 175.3
[M+K]+ 289.07377 157.4
[M+H-H2O]+ 233.10787 147.5
[M+HCOO]- 295.10881 172.1
[M+CH3COO]- 309.12446 166.1
[M+Na-2H]- 271.08528 160.4
[M]+ 250.11006 152.9
[M]- 250.11116 152.9
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.