CID 2736904

2-methyl-1-[3-(morpholin-4-yl)prop-1-yl]-5-phenyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC1=C(C=C(N1CCCN2CCOCC2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C19H24N2O3/c1-15-17(19(22)23)14-18(16-6-3-2-4-7-16)21(15)9-5-8-20-10-12-24-13-11-20/h2-4,6-7,14H,5,8-13H2,1H3,(H,22,23)
InChIKey
OZRPKALPSGYEHX-UHFFFAOYSA-N
Compound name
2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

328.17868 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 179.7
[M+Na]+ 351.167898 184.3
[M-H]- 327.171404 185.3
[M+NH4]+ 346.212503 190.1
[M+K]+ 367.141838 180.8
[M+H-H2O]+ 311.175940 170.0
[M+HCOO]- 373.176881 194.8
[M+CH3COO]- 387.192531 206.4
[M+Na-2H]- 349.153346 178.6
[M]+ 328.17813142 178.2
[M]- 328.17922858 178.2
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

patents stripe