CID 46136

Kl 3812

Structural Information

Molecular Formula
C20H34N2O3
SMILES
CCCCCCOC1=CC(=C(C=C1)NC(=O)OCCN(CC)CC)C
InChI
InChI=1S/C20H34N2O3/c1-5-8-9-10-14-24-18-11-12-19(17(4)16-18)21-20(23)25-15-13-22(6-2)7-3/h11-12,16H,5-10,13-15H2,1-4H3,(H,21,23)
InChIKey
JIYIGOSXBYAFAP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(4-hexoxy-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.25696 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26424 191.1
[M+Na]+ 373.24618 193.9
[M-H]- 349.24968 194.7
[M+NH4]+ 368.29078 204.5
[M+K]+ 389.22012 192.3
[M+H-H2O]+ 333.25422 182.2
[M+HCOO]- 395.25516 214.3
[M+CH3COO]- 409.27081 224.7
[M+Na-2H]- 371.23163 190.5
[M]+ 350.25641 198.2
[M]- 350.25751 198.2
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.