CID 50063

2-(dimethylamino)ethyl m-(hexyloxy)carbanilate hydrochloride

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCCCCOC1=CC=CC(=C1)NC(=O)OCCN(C)C
InChI
InChI=1S/C17H28N2O3/c1-4-5-6-7-12-21-16-10-8-9-15(14-16)18-17(20)22-13-11-19(2)3/h8-10,14H,4-7,11-13H2,1-3H3,(H,18,20)
InChIKey
MHDLOXRQTCHYGH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(3-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 177.6
[M+Na]+ 331.19922 180.8
[M-H]- 307.20272 181.4
[M+NH4]+ 326.24382 192.4
[M+K]+ 347.17316 179.8
[M+H-H2O]+ 291.20726 169.0
[M+HCOO]- 353.20820 201.8
[M+CH3COO]- 367.22385 214.6
[M+Na-2H]- 329.18467 179.3
[M]+ 308.20945 183.3
[M]- 308.21055 183.3
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.