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]+ 292.100206 168.0
[M+Na]+ 314.082148 175.2
[M-H]- 290.085654 174.1
[M+NH4]+ 309.126753 185.2
[M+K]+ 330.056088 171.6
[M+H-H2O]+ 274.090190 161.9
[M+HCOO]- 336.091131 185.5
[M+CH3COO]- 350.106781 197.8
[M+Na-2H]- 312.067596 168.9
[M]+ 291.09238142 171.1
[M]- 291.09347858 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.