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

38
Patents

328.17868 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 179.7
[M+Na]+ 351.16790 184.3
[M-H]- 327.17140 185.3
[M+NH4]+ 346.21250 190.1
[M+K]+ 367.14184 180.8
[M+H-H2O]+ 311.17594 170.0
[M+HCOO]- 373.17688 194.8
[M+CH3COO]- 387.19253 206.4
[M+Na-2H]- 349.15335 178.6
[M]+ 328.17813 178.2
[M]- 328.17923 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