CID 54437

Bl 443

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 180.8
[M+Na]+ 347.19412 182.7
[M-H]- 323.19762 181.8
[M+NH4]+ 342.23872 193.3
[M+K]+ 363.16806 181.3
[M+H-H2O]+ 307.20216 172.6
[M+HCOO]- 369.20310 201.2
[M+CH3COO]- 383.21875 212.7
[M+Na-2H]- 345.17957 180.4
[M]+ 324.20435 183.4
[M]- 324.20545 183.4
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.