CID 4083810

69912-08-9

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC1=C(NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H23NO4/c1-12-15(17(21)24-19(3,4)5)13(2)20-16(12)18(22)23-11-14-9-7-6-8-10-14/h6-10,20H,11H2,1-5H3
InChIKey
RGMZBIYJTSNGTO-UHFFFAOYSA-N
Compound name
2-O-benzyl 4-O-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 179.0
[M+Na]+ 352.15194 189.3
[M+NH4]+ 347.19654 184.0
[M+K]+ 368.12588 186.9
[M-H]- 328.15544 179.3
[M+Na-2H]- 350.13739 183.1
[M]+ 329.16217 180.3
[M]- 329.16327 180.3
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.