CID 3068245

Bl-345

Structural Information

Molecular Formula
C17H28N2O4
SMILES
CCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C17H28N2O4/c1-5-10-22-16(21)19-13-6-8-15(9-7-13)23-12-14(20)11-18-17(2,3)4/h6-9,14,18,20H,5,10-12H2,1-4H3,(H,19,21)
InChIKey
UNEMNIWMGZEVND-UHFFFAOYSA-N
Compound name
propyl N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 180.1
[M+Na]+ 347.19412 182.8
[M-H]- 323.19762 181.5
[M+NH4]+ 342.23872 193.0
[M+K]+ 363.16806 181.4
[M+H-H2O]+ 307.20216 172.7
[M+HCOO]- 369.20310 200.1
[M+CH3COO]- 383.21875 211.6
[M+Na-2H]- 345.17957 182.1
[M]+ 324.20435 182.9
[M]- 324.20545 182.9
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.