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 172.7
[M+Na]+ 344.12572 180.0
[M-H]- 320.12922 181.1
[M+NH4]+ 339.17032 188.8
[M+K]+ 360.09966 181.6
[M+H-H2O]+ 304.13376 167.0
[M+HCOO]- 366.13470 195.5
[M+CH3COO]- 380.15035 215.4
[M+Na-2H]- 342.11117 178.4
[M]+ 321.13595 176.0
[M]- 321.13705 176.0
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.