CID 165917277

Tert-butyl n-[4-(4-hydroxyphenyl)thiophen-2-yl]carbamate

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CC(C)(C)OC(=O)NC1=CC(=CS1)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H17NO3S/c1-15(2,3)19-14(18)16-13-8-11(9-20-13)10-4-6-12(17)7-5-10/h4-9,17H,1-3H3,(H,16,18)
InChIKey
MGPFEEQVCULNRG-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4-hydroxyphenyl)thiophen-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09293 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 168.0
[M+Na]+ 314.08215 175.2
[M-H]- 290.08565 174.1
[M+NH4]+ 309.12675 185.2
[M+K]+ 330.05609 171.6
[M+H-H2O]+ 274.09019 161.9
[M+HCOO]- 336.09113 185.5
[M+CH3COO]- 350.10678 197.8
[M+Na-2H]- 312.06760 168.9
[M]+ 291.09238 171.1
[M]- 291.09348 171.1
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.