CID 3237808

5-(morpholin-4-yl)-4-phenylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C15H15NO3S
SMILES
C1COCCN1C2=C(C=C(S2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C15H15NO3S/c17-15(18)13-10-12(11-4-2-1-3-5-11)14(20-13)16-6-8-19-9-7-16/h1-5,10H,6-9H2,(H,17,18)
InChIKey
RQGNZHXSTGABNZ-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

289.07727 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.084546 164.2
[M+Na]+ 312.066488 170.6
[M-H]- 288.069994 172.0
[M+NH4]+ 307.111093 178.4
[M+K]+ 328.040428 167.5
[M+H-H2O]+ 272.074530 157.0
[M+HCOO]- 334.075471 177.7
[M+CH3COO]- 348.091121 175.2
[M+Na-2H]- 310.051936 163.7
[M]+ 289.07672142 163.2
[M]- 289.07781858 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.