CID 512931

Ethyl 4-chloro-1-(2-hydroxyethoxymethyl)-2-methyl-5-phenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C17H20ClNO4
SMILES
CCOC(=O)C1=C(N(C(=C1Cl)C2=CC=CC=C2)COCCO)C
InChI
InChI=1S/C17H20ClNO4/c1-3-23-17(21)14-12(2)19(11-22-10-9-20)16(15(14)18)13-7-5-4-6-8-13/h4-8,20H,3,9-11H2,1-2H3
InChIKey
HBWFOUUOUQOFDR-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-1-(2-hydroxyethoxymethyl)-2-methyl-5-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1081 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11538 176.9
[M+Na]+ 360.09732 185.8
[M-H]- 336.10082 181.5
[M+NH4]+ 355.14192 191.7
[M+K]+ 376.07126 180.9
[M+H-H2O]+ 320.10536 169.9
[M+HCOO]- 382.10630 193.7
[M+CH3COO]- 396.12195 206.8
[M+Na-2H]- 358.08277 176.2
[M]+ 337.10755 184.5
[M]- 337.10865 184.5
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.