CID 6435609

9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-ethyl-4h-benzo(5,6)cyclohept(1,2-d)oxazole

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]+ 297.19615 171.5
[M+Na]+ 319.17809 177.8
[M-H]- 295.18159 178.5
[M+NH4]+ 314.22269 187.9
[M+K]+ 335.15203 177.8
[M+H-H2O]+ 279.18613 164.7
[M+HCOO]- 341.18707 190.9
[M+CH3COO]- 355.20272 182.5
[M+Na-2H]- 317.16354 174.7
[M]+ 296.18832 171.9
[M]- 296.18942 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.