CID 106508966

Tert-butyl n-{2-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypropyl}carbamate

Structural Information

Molecular Formula
C16H24BrNO4
SMILES
CC(C)(C)OC(=O)NCC(CC1=CC(=C(C=C1)OC)Br)CO
InChI
InChI=1S/C16H24BrNO4/c1-16(2,3)22-15(20)18-9-12(10-19)7-11-5-6-14(21-4)13(17)8-11/h5-6,8,12,19H,7,9-10H2,1-4H3,(H,18,20)
InChIKey
JLGOHRHRGMWDJI-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.08887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09615 179.3
[M+Na]+ 396.07809 178.8
[M+NH4]+ 391.12269 180.9
[M+K]+ 412.05203 180.6
[M-H]- 372.08159 177.5
[M+Na-2H]- 394.06354 178.9
[M]+ 373.08832 177.3
[M]- 373.08942 177.3
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.