CID 46318386

Tert-butyl (5-bromo-2-hydroxybenzyl)(2-hydroxyethyl)carbamate

Structural Information

Molecular Formula
C14H20BrNO4
SMILES
CC(C)(C)OC(=O)N(CCO)CC1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C14H20BrNO4/c1-14(2,3)20-13(19)16(6-7-17)9-10-8-11(15)4-5-12(10)18/h4-5,8,17-18H,6-7,9H2,1-3H3
InChIKey
YFNZPSVBCBMUEW-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromo-2-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

345.05756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.06484 172.7
[M+Na]+ 368.04678 181.2
[M-H]- 344.05028 177.3
[M+NH4]+ 363.09138 189.0
[M+K]+ 384.02072 170.8
[M+H-H2O]+ 328.05482 171.4
[M+HCOO]- 390.05576 189.9
[M+CH3COO]- 404.07141 207.3
[M+Na-2H]- 366.03223 175.9
[M]+ 345.05701 193.6
[M]- 345.05811 193.6
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

patents stripe