CID 49401

5h-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-n-methoxy-n-methyl-

Structural Information

Molecular Formula
C20H23NO
SMILES
CN(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)OC
InChI
InChI=1S/C20H23NO/c1-21(22-2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey
KZLGHJSDDRLNGF-UHFFFAOYSA-N
Compound name
N-methoxy-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 168.5
[M+Na]+ 316.167198 173.4
[M-H]- 292.170704 175.6
[M+NH4]+ 311.211803 185.5
[M+K]+ 332.141138 173.2
[M+H-H2O]+ 276.175240 162.8
[M+HCOO]- 338.176181 189.0
[M+CH3COO]- 352.191831 179.4
[M+Na-2H]- 314.152646 174.0
[M]+ 293.17743142 167.2
[M]- 293.17852858 167.2
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.