CID 3060335

Brn 5091576

Structural Information

Molecular Formula
C15H15NO4S
SMILES
CC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(=O)OCCO
InChI
InChI=1S/C15H15NO4S/c1-10-9-12(15(19)20-8-7-17)14(21-10)16-13(18)11-5-3-2-4-6-11/h2-6,9,17H,7-8H2,1H3,(H,16,18)
InChIKey
TWRLZPREVIRNOK-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-benzamido-5-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.07217 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07945 170.0
[M+Na]+ 328.06139 179.3
[M+NH4]+ 323.10599 176.4
[M+K]+ 344.03533 174.3
[M-H]- 304.06489 172.1
[M+Na-2H]- 326.04684 174.7
[M]+ 305.07162 172.0
[M]- 305.07272 172.0
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.