CID 461161

56071-60-4

Structural Information

Molecular Formula
C21H19NO4
SMILES
CC1=C(C(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC
InChI
InChI=1S/C21H19NO4/c1-14-17(20(23)25-2)18(21(24)26-3)19(15-10-6-4-7-11-15)22(14)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKey
NOIRBDMFBKMFQC-UHFFFAOYSA-N
Compound name
dimethyl 2-methyl-1,5-diphenylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 182.1
[M+Na]+ 372.12062 190.0
[M-H]- 348.12412 191.4
[M+NH4]+ 367.16522 195.4
[M+K]+ 388.09456 186.4
[M+H-H2O]+ 332.12866 172.9
[M+HCOO]- 394.12960 204.0
[M+CH3COO]- 408.14525 213.0
[M+Na-2H]- 370.10607 181.1
[M]+ 349.13085 186.7
[M]- 349.13195 186.7
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.