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 186.5
[M+Na]+ 394.16250 192.6
[M-H]- 370.16600 192.4
[M+NH4]+ 389.20710 199.2
[M+K]+ 410.13644 191.4
[M+H-H2O]+ 354.17054 179.0
[M+HCOO]- 416.17148 204.7
[M+CH3COO]- 430.18713 221.1
[M+Na-2H]- 392.14795 180.5
[M]+ 371.17273 192.9
[M]- 371.17383 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.