CID 40040

Alpha-(6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate

Structural Information

Molecular Formula
C22H29NO
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C22H29NO/c1-23(2)15-16-24-22(19-10-6-4-7-11-19)21-14-13-18-9-5-3-8-12-20(18)17-21/h4,6-7,10-11,13-14,17,22H,3,5,8-9,12,15-16H2,1-2H3
InChIKey
PULKHMJVFAJVTE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 180.5
[M+Na]+ 346.21412 191.1
[M+NH4]+ 341.25872 188.9
[M+K]+ 362.18806 183.8
[M-H]- 322.21762 186.2
[M+Na-2H]- 344.19957 187.9
[M]+ 323.22435 183.7
[M]- 323.22545 183.7
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.