CID 3074344

Chembl64633

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]+ 345.25365 187.7
[M+Na]+ 367.23559 192.5
[M-H]- 343.23909 188.8
[M+NH4]+ 362.28019 206.1
[M+K]+ 383.20953 187.8
[M+H-H2O]+ 327.24363 180.2
[M+HCOO]- 389.24457 203.1
[M+CH3COO]- 403.26022 217.8
[M+Na-2H]- 365.22104 189.3
[M]+ 344.24582 190.1
[M]- 344.24692 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.