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]+ 290.08455 164.2
[M+Na]+ 312.06649 170.6
[M-H]- 288.06999 172.0
[M+NH4]+ 307.11109 178.4
[M+K]+ 328.04043 167.5
[M+H-H2O]+ 272.07453 157.0
[M+HCOO]- 334.07547 177.7
[M+CH3COO]- 348.09112 175.2
[M+Na-2H]- 310.05194 163.7
[M]+ 289.07672 163.2
[M]- 289.07782 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.