CID 3383858

Dimethyl 1-(2-methoxyphenyl)-2-methyl-1h-pyrrole-3,4-dicarboxylate

Structural Information

Molecular Formula
C16H17NO5
SMILES
CC1=C(C(=CN1C2=CC=CC=C2OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C16H17NO5/c1-10-14(16(19)22-4)11(15(18)21-3)9-17(10)12-7-5-6-8-13(12)20-2/h5-9H,1-4H3
InChIKey
MBBQOANUZFSRDI-UHFFFAOYSA-N
Compound name
dimethyl 1-(2-methoxyphenyl)-2-methylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 166.8
[M+Na]+ 326.09992 175.7
[M-H]- 302.10342 173.3
[M+NH4]+ 321.14452 182.6
[M+K]+ 342.07386 174.3
[M+H-H2O]+ 286.10796 159.3
[M+HCOO]- 348.10890 189.4
[M+CH3COO]- 362.12455 204.3
[M+Na-2H]- 324.08537 166.5
[M]+ 303.11015 173.9
[M]- 303.11125 173.9
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.