CID 54977

Bl 235

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CCOC(=O)NC1=CC(=CC=C1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C16H26N2O4/c1-5-21-15(20)18-12-7-6-8-14(9-12)22-11-13(19)10-17-16(2,3)4/h6-9,13,17,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKey
NYTHHFQMBUDRGV-UHFFFAOYSA-N
Compound name
ethyl N-[3-[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 175.3
[M+Na]+ 333.17849 182.2
[M+NH4]+ 328.22309 179.9
[M+K]+ 349.15243 178.7
[M-H]- 309.18199 175.0
[M+Na-2H]- 331.16394 178.0
[M]+ 310.18872 175.7
[M]- 310.18982 175.7
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.