CID 24209041

Diisopropyl 1-(4-acetylphenyl)-2-methyl-1h-pyrrole-3,4-dicarboxylate

Structural Information

Molecular Formula
C21H25NO5
SMILES
CC1=C(C(=CN1C2=CC=C(C=C2)C(=O)C)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C21H25NO5/c1-12(2)26-20(24)18-11-22(14(5)19(18)21(25)27-13(3)4)17-9-7-16(8-10-17)15(6)23/h7-13H,1-6H3
InChIKey
GAFWBIQFCWZLMH-UHFFFAOYSA-N
Compound name
dipropan-2-yl 1-(4-acetylphenyl)-2-methylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 187.3
[M+Na]+ 394.16250 196.9
[M+NH4]+ 389.20710 191.3
[M+K]+ 410.13644 195.8
[M-H]- 370.16600 187.3
[M+Na-2H]- 392.14795 189.9
[M]+ 371.17273 188.3
[M]- 371.17383 188.3
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.