CID 499931

Ethyl 1-[3-(2-aminoanilino)-2-hydroxy-propyl]-4-phenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CNC3=CC=CC=C3N)O
InChI
InChI=1S/C22H25N3O3/c1-2-28-22(27)19-15-25(14-18(19)16-8-4-3-5-9-16)13-17(26)12-24-21-11-7-6-10-20(21)23/h3-11,14-15,17,24,26H,2,12-13,23H2,1H3
InChIKey
DOEYWNICACHCMT-UHFFFAOYSA-N
Compound name
ethyl 1-[3-(2-aminoanilino)-2-hydroxypropyl]-4-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.1896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 191.4
[M+Na]+ 402.17882 195.4
[M-H]- 378.18232 198.1
[M+NH4]+ 397.22342 201.6
[M+K]+ 418.15276 190.5
[M+H-H2O]+ 362.18686 181.4
[M+HCOO]- 424.18780 212.6
[M+CH3COO]- 438.20345 221.5
[M+Na-2H]- 400.16427 190.5
[M]+ 379.18905 191.2
[M]- 379.19015 191.2
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.