CID 24212718

Diethyl 1-(3-chloro-2-methylphenyl)-2-methyl-1h-pyrrole-3,4-dicarboxylate

Structural Information

Molecular Formula
C18H20ClNO4
SMILES
CCOC(=O)C1=CN(C(=C1C(=O)OCC)C)C2=C(C(=CC=C2)Cl)C
InChI
InChI=1S/C18H20ClNO4/c1-5-23-17(21)13-10-20(12(4)16(13)18(22)24-6-2)15-9-7-8-14(19)11(15)3/h7-10H,5-6H2,1-4H3
InChIKey
WLOAQEHUDFRCHF-UHFFFAOYSA-N
Compound name
diethyl 1-(3-chloro-2-methylphenyl)-2-methylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1081 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11538 179.1
[M+Na]+ 372.09732 189.0
[M-H]- 348.10082 185.5
[M+NH4]+ 367.14192 194.4
[M+K]+ 388.07126 184.7
[M+H-H2O]+ 332.10536 172.3
[M+HCOO]- 394.10630 196.3
[M+CH3COO]- 408.12195 213.0
[M+Na-2H]- 370.08277 176.6
[M]+ 349.10755 188.0
[M]- 349.10865 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.