CID 128099

Carbamic acid, (4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, propyl ester, monohydrochloride

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C16H26N2O4/c1-4-9-21-16(20)18-13-5-7-15(8-6-13)22-11-14(19)10-17-12(2)3/h5-8,12,14,17,19H,4,9-11H2,1-3H3,(H,18,20)
InChIKey
JYYRBOODNYYYPE-UHFFFAOYSA-N
Compound name
propyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

310.18927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.196546 176.3
[M+Na]+ 333.178488 178.6
[M-H]- 309.181994 177.5
[M+NH4]+ 328.223093 189.4
[M+K]+ 349.152428 177.5
[M+H-H2O]+ 293.186530 168.3
[M+HCOO]- 355.187471 197.1
[M+CH3COO]- 369.203121 209.7
[M+Na-2H]- 331.163936 176.5
[M]+ 310.18872142 178.6
[M]- 310.18981858 178.6
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.