CID 212717

5-(2-dimethylaminoethoxy)-5h-dibenzo(a,d)cyclohepten-10-carbontrile hydrogen maleate

Structural Information

Molecular Formula
C20H20N2O
SMILES
CN(C)CCOC1C2=CC=CC=C2C=C(C3=CC=CC=C13)C#N
InChI
InChI=1S/C20H20N2O/c1-22(2)11-12-23-20-18-9-4-3-7-15(18)13-16(14-21)17-8-5-6-10-19(17)20/h3-10,13,20H,11-12H2,1-2H3
InChIKey
ZFSBFCLTDPHRLM-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 175.5
[M+Na]+ 327.14678 187.2
[M+NH4]+ 322.19138 180.7
[M+K]+ 343.12072 176.9
[M-H]- 303.15028 173.0
[M+Na-2H]- 325.13223 179.3
[M]+ 304.15701 175.9
[M]- 304.15811 175.9
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.