CID 6434975

5h-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 2,3-dimethoxy-n,n-dimethyl-

Structural Information

Molecular Formula
C22H25NO2
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2C=CC3=CC(=C(C=C31)OC)OC
InChI
InChI=1S/C22H25NO2/c1-23(2)13-7-10-19-18-9-6-5-8-16(18)11-12-17-14-21(24-3)22(25-4)15-20(17)19/h5-6,8-12,14-15H,7,13H2,1-4H3/b19-10-
InChIKey
AOAZRFRFPUEUIS-GRSHGNNSSA-N
Compound name
(3Z)-3-(5,6-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 180.2
[M+Na]+ 358.17776 186.7
[M-H]- 334.18126 188.0
[M+NH4]+ 353.22236 196.1
[M+K]+ 374.15170 187.2
[M+H-H2O]+ 318.18580 174.2
[M+HCOO]- 380.18674 201.5
[M+CH3COO]- 394.20239 220.3
[M+Na-2H]- 356.16321 184.2
[M]+ 335.18799 182.9
[M]- 335.18909 182.9
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.