CID 2814298

2-morpholino-5-(1h-pyrrol-1-yl)benzoic acid

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C=CC=C3)C(=O)O
InChI
InChI=1S/C15H16N2O3/c18-15(19)13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-20-10-8-17/h1-6,11H,7-10H2,(H,18,19)
InChIKey
ANQJKFVOUAXTCA-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

272.1161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 161.3
[M+Na]+ 295.105318 166.9
[M-H]- 271.108824 167.3
[M+NH4]+ 290.149923 173.7
[M+K]+ 311.079258 164.2
[M+H-H2O]+ 255.113360 152.1
[M+HCOO]- 317.114301 177.9
[M+CH3COO]- 331.129951 171.8
[M+Na-2H]- 293.090766 163.1
[M]+ 272.11555142 158.1
[M]- 272.11664858 158.1
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

patents stripe