CID 6446729

1-propanamine, 3-(9,10-dihydro-2-methyl-4h-benzo(4,5)cyclohepta(1,2-b)furan-4-ylidene)-n,n-dimethyl-

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1=CC\2=C(O1)CCC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C19H23NO/c1-14-13-18-17(9-6-12-20(2)3)16-8-5-4-7-15(16)10-11-19(18)21-14/h4-5,7-9,13H,6,10-12H2,1-3H3/b17-9+
InChIKey
FAWOPTWUAHHPBM-RQZCQDPDSA-N
Compound name
(3E)-N,N-dimethyl-3-(5-methyl-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 167.1
[M+Na]+ 304.167198 173.3
[M-H]- 280.170704 175.5
[M+NH4]+ 299.211803 185.5
[M+K]+ 320.141138 173.4
[M+H-H2O]+ 264.175240 162.2
[M+HCOO]- 326.176181 187.7
[M+CH3COO]- 340.191831 178.9
[M+Na-2H]- 302.152646 170.5
[M]+ 281.17743142 167.1
[M]- 281.17852858 167.1
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.