CID 512940

Ethyl 4-amino-1-(2-hydroxyethoxymethyl)-2,5-diphenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CCOC(=O)C1=C(N(C(=C1N)C2=CC=CC=C2)COCCO)C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O4/c1-2-28-22(26)18-19(23)21(17-11-7-4-8-12-17)24(15-27-14-13-25)20(18)16-9-5-3-6-10-16/h3-12,25H,2,13-15,23H2,1H3
InChIKey
NXHIILOARCZRME-UHFFFAOYSA-N
Compound name
ethyl 4-amino-1-(2-hydroxyethoxymethyl)-2,5-diphenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 191.7
[M+Na]+ 403.16282 197.6
[M-H]- 379.16632 198.6
[M+NH4]+ 398.20742 202.4
[M+K]+ 419.13676 192.7
[M+H-H2O]+ 363.17086 181.9
[M+HCOO]- 425.17180 212.9
[M+CH3COO]- 439.18745 218.7
[M+Na-2H]- 401.14827 190.5
[M]+ 380.17305 194.4
[M]- 380.17415 194.4
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.