CID 512920

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

Structural Information

Molecular Formula
C19H22ClNO5
SMILES
CCOC(=O)C1=C(N(C(=C1Cl)C2=CC=CC=C2)COCCOC(=O)C)C
InChI
InChI=1S/C19H22ClNO5/c1-4-25-19(23)16-13(2)21(12-24-10-11-26-14(3)22)18(17(16)20)15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3
InChIKey
QPSHVCXTISWBEV-UHFFFAOYSA-N
Compound name
ethyl 1-(2-acetyloxyethoxymethyl)-4-chloro-2-methyl-5-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.11865 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12593 187.0
[M+Na]+ 402.10787 195.3
[M-H]- 378.11137 192.8
[M+NH4]+ 397.15247 200.6
[M+K]+ 418.08181 191.4
[M+H-H2O]+ 362.11591 179.4
[M+HCOO]- 424.11685 204.0
[M+CH3COO]- 438.13250 216.7
[M+Na-2H]- 400.09332 184.7
[M]+ 379.11810 197.2
[M]- 379.11920 197.2
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.