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]+ 372.180556 186.5
[M+Na]+ 394.162498 192.6
[M-H]- 370.166004 192.4
[M+NH4]+ 389.207103 199.2
[M+K]+ 410.136438 191.4
[M+H-H2O]+ 354.170540 179.0
[M+HCOO]- 416.171481 204.7
[M+CH3COO]- 430.187131 221.1
[M+Na-2H]- 392.147946 180.5
[M]+ 371.17273142 192.9
[M]- 371.17382858 192.9
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.