CID 39220

(4-propoxyphenyl)carbamic acid 2-(diethylamino)-1-methylethyl ester hydrochloride

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCOC1=CC=C(C=C1)NC(=O)OC(C)CN(CC)CC
InChI
InChI=1S/C17H28N2O3/c1-5-12-21-16-10-8-15(9-11-16)18-17(20)22-14(4)13-19(6-2)7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20)
InChIKey
ZGLQVOLIXBTBNY-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl N-(4-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 178.2
[M+Na]+ 331.19922 181.2
[M-H]- 307.20272 182.1
[M+NH4]+ 326.24382 193.0
[M+K]+ 347.17316 180.8
[M+H-H2O]+ 291.20726 169.8
[M+HCOO]- 353.20820 201.5
[M+CH3COO]- 367.22385 215.5
[M+Na-2H]- 329.18467 178.7
[M]+ 308.20945 183.2
[M]- 308.21055 183.2
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.