CID 128099

Bl-343

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

0
Patents

310.18927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 176.0
[M+Na]+ 333.17849 182.8
[M+NH4]+ 328.22309 180.5
[M+K]+ 349.15243 178.8
[M-H]- 309.18199 176.0
[M+Na-2H]- 331.16394 178.3
[M]+ 310.18872 176.4
[M]- 310.18982 176.4
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.