CID 6435609

100447-52-7

Structural Information

Molecular Formula
C19H24N2O
SMILES
CCC1=NC\2=C(O1)CCC3=CC=CC=C3/C2=C/CCN(C)C
InChI
InChI=1S/C19H24N2O/c1-4-18-20-19-16(10-7-13-21(2)3)15-9-6-5-8-14(15)11-12-17(19)22-18/h5-6,8-10H,4,7,11-13H2,1-3H3/b16-10-
InChIKey
SACHUKKHDCCKPQ-YBEGLDIGSA-N
Compound name
(3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 171.5
[M+Na]+ 319.178088 177.8
[M-H]- 295.181594 178.5
[M+NH4]+ 314.222693 187.9
[M+K]+ 335.152028 177.8
[M+H-H2O]+ 279.186130 164.7
[M+HCOO]- 341.187071 190.9
[M+CH3COO]- 355.202721 182.5
[M+Na-2H]- 317.163536 174.7
[M]+ 296.18832142 171.9
[M]- 296.18941858 171.9
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.