CID 3074344

156693-48-0

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CCCCCCNC(=O)OC1=CC2=C(C=C1)C3CC2(CCN3CC)C
InChI
InChI=1S/C21H32N2O2/c1-4-6-7-8-12-22-20(24)25-16-9-10-17-18(14-16)21(3)11-13-23(5-2)19(17)15-21/h9-10,14,19H,4-8,11-13,15H2,1-3H3,(H,22,24)
InChIKey
KLEWHGJJTJIPNR-UHFFFAOYSA-N
Compound name
(9-ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl) N-hexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.24637 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.253646 187.7
[M+Na]+ 367.235588 192.5
[M-H]- 343.239094 188.8
[M+NH4]+ 362.280193 206.1
[M+K]+ 383.209528 187.8
[M+H-H2O]+ 327.243630 180.2
[M+HCOO]- 389.244571 203.1
[M+CH3COO]- 403.260221 217.8
[M+Na-2H]- 365.221036 189.3
[M]+ 344.24582142 190.1
[M]- 344.24691858 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.