CID 214120

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

Structural Information

Molecular Formula
C20H21NO2
SMILES
CN(C)CCOC(=O)C1=CC2=CC=CC=C2CC3=CC=CC=C31
InChI
InChI=1S/C20H21NO2/c1-21(2)11-12-23-20(22)19-14-16-8-4-3-7-15(16)13-17-9-5-6-10-18(17)19/h3-10,14H,11-13H2,1-2H3
InChIKey
UTRJMJAPDFFHEA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl tricyclo[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

307.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 170.8
[M+Na]+ 330.14645 176.2
[M-H]- 306.14995 178.4
[M+NH4]+ 325.19105 187.2
[M+K]+ 346.12039 177.4
[M+H-H2O]+ 290.15449 165.1
[M+HCOO]- 352.15543 191.9
[M+CH3COO]- 366.17108 213.3
[M+Na-2H]- 328.13190 176.2
[M]+ 307.15668 171.6
[M]- 307.15778 171.6
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.