CID 54981

Bl 245

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C16H26N2O4/c1-5-21-15(20)18-12-6-8-14(9-7-12)22-11-13(19)10-17-16(2,3)4/h6-9,13,17,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKey
SIJNSHNWDMCVIZ-UHFFFAOYSA-N
Compound name
ethyl N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 175.6
[M+Na]+ 333.17849 178.8
[M-H]- 309.18199 177.1
[M+NH4]+ 328.22309 189.1
[M+K]+ 349.15243 177.6
[M+H-H2O]+ 293.18653 168.4
[M+HCOO]- 355.18747 195.9
[M+CH3COO]- 369.20312 208.6
[M+Na-2H]- 331.16394 178.1
[M]+ 310.18872 178.0
[M]- 310.18982 178.0
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.