CID 46146

Kl 3831

Structural Information

Molecular Formula
C21H36N2O3
SMILES
CCCCCCOC1=CC(=C(C=C1)NC(=O)OC(C)CN(CC)CC)C
InChI
InChI=1S/C21H36N2O3/c1-6-9-10-11-14-25-19-12-13-20(17(4)15-19)22-21(24)26-18(5)16-23(7-2)8-3/h12-13,15,18H,6-11,14,16H2,1-5H3,(H,22,24)
InChIKey
WZKHEEMESQKECF-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl N-(4-hexoxy-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.27258 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.279856 196.2
[M+Na]+ 387.261798 198.3
[M-H]- 363.265304 199.6
[M+NH4]+ 382.306403 208.9
[M+K]+ 403.235738 197.1
[M+H-H2O]+ 347.269840 187.3
[M+HCOO]- 409.270781 218.0
[M+CH3COO]- 423.286431 228.5
[M+Na-2H]- 385.247246 193.9
[M]+ 364.27203142 203.0
[M]- 364.27312858 203.0
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.