CID 71301193

Ammonium, dimethylethyl(2-(2-(p-hydroxyphenoxy)acetamido)ethyl)-, iodide, dimethylcarbamate

Structural Information

Molecular Formula
C17H27N3O4
SMILES
CC(C)(C)NCCNC(=O)COC1=CC=C(C=C1)OC(=O)N(C)C
InChI
InChI=1S/C17H27N3O4/c1-17(2,3)19-11-10-18-15(21)12-23-13-6-8-14(9-7-13)24-16(22)20(4)5/h6-9,19H,10-12H2,1-5H3,(H,18,21)
InChIKey
VYGYGLROPZEQFT-UHFFFAOYSA-N
Compound name
[4-[2-[2-(tert-butylamino)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.20016 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.20744 182.4
[M+Na]+ 360.18938 185.1
[M-H]- 336.19288 186.6
[M+NH4]+ 355.23398 195.7
[M+K]+ 376.16332 185.5
[M+H-H2O]+ 320.19742 174.2
[M+HCOO]- 382.19836 205.5
[M+CH3COO]- 396.21401 221.0
[M+Na-2H]- 358.17483 184.5
[M]+ 337.19961 186.7
[M]- 337.20071 186.7
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.