CID 54975

Bl 233

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CCOC(=O)NC1=CC(=CC=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C15H24N2O4/c1-4-20-15(19)17-12-6-5-7-14(8-12)21-10-13(18)9-16-11(2)3/h5-8,11,13,16,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKey
JEQULDRSHKFDNC-UHFFFAOYSA-N
Compound name
ethyl N-[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1736 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18088 171.6
[M+Na]+ 319.16282 178.6
[M+NH4]+ 314.20742 176.3
[M+K]+ 335.13676 174.9
[M-H]- 295.16632 171.7
[M+Na-2H]- 317.14827 174.1
[M]+ 296.17305 172.0
[M]- 296.17415 172.0
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.