CID 212714

2-(dimethylamino)ethyl 5-oxo-5h-dibenzo(a,d)cyclohepten-10-carboxylate hydrogen maleate

Structural Information

Molecular Formula
C20H19NO3
SMILES
CN(C)CCOC(=O)C1=CC2=CC=CC=C2C(=O)C3=CC=CC=C31
InChI
InChI=1S/C20H19NO3/c1-21(2)11-12-24-20(23)18-13-14-7-3-4-8-15(14)19(22)17-10-6-5-9-16(17)18/h3-10,13H,11-12H2,1-2H3
InChIKey
YVLDDRYYCIWQCE-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 171.8
[M+Na]+ 344.12572 184.2
[M+NH4]+ 339.17032 179.2
[M+K]+ 360.09966 178.0
[M-H]- 320.12922 175.3
[M+Na-2H]- 342.11117 178.4
[M]+ 321.13595 174.7
[M]- 321.13705 174.7
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.