CID 3068248

Bl-545

Structural Information

Molecular Formula
C19H32N2O4
SMILES
CCCCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H32N2O4/c1-5-6-7-12-24-18(23)21-15-8-10-17(11-9-15)25-14-16(22)13-20-19(2,3)4/h8-11,16,20,22H,5-7,12-14H2,1-4H3,(H,21,23)
InChIKey
NBGRBIARXUSJPJ-UHFFFAOYSA-N
Compound name
pentyl N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.243476 189.1
[M+Na]+ 375.225418 190.9
[M-H]- 351.228924 190.0
[M+NH4]+ 370.270023 200.8
[M+K]+ 391.199358 189.1
[M+H-H2O]+ 335.233460 181.2
[M+HCOO]- 397.234401 208.3
[M+CH3COO]- 411.250051 217.5
[M+Na-2H]- 373.210866 190.0
[M]+ 352.23565142 192.6
[M]- 352.23674858 192.6
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.