CID 499936

Ethyl 1-(3-anilino-2-hydroxy-propyl)-4-phenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CNC3=CC=CC=C3)O
InChI
InChI=1S/C22H24N2O3/c1-2-27-22(26)21-16-24(15-20(21)17-9-5-3-6-10-17)14-19(25)13-23-18-11-7-4-8-12-18/h3-12,15-16,19,23,25H,2,13-14H2,1H3
InChIKey
HMHFZIRDCGMEJO-UHFFFAOYSA-N
Compound name
ethyl 1-(3-anilino-2-hydroxypropyl)-4-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.2
[M+Na]+ 387.16790 192.2
[M-H]- 363.17140 194.9
[M+NH4]+ 382.21250 199.3
[M+K]+ 403.14184 187.4
[M+H-H2O]+ 347.17594 178.3
[M+HCOO]- 409.17688 208.9
[M+CH3COO]- 423.19253 215.4
[M+Na-2H]- 385.15335 188.2
[M]+ 364.17813 189.1
[M]- 364.17923 189.1
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

No patent data available for this compound.