CID 6446729

Methyl-2 ((dimethylamino-3')propylidene)-4-dihydro-9,10 benzo(4,5) cyclohepta(1,2-b)furanne

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]+ 282.18526 168.4
[M+Na]+ 304.16720 179.0
[M+NH4]+ 299.21180 177.0
[M+K]+ 320.14114 174.1
[M-H]- 280.17070 173.2
[M+Na-2H]- 302.15265 172.5
[M]+ 281.17743 171.4
[M]- 281.17853 171.4
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.