CID 512929

Ethyl 1-(2-acetoxyethoxymethyl)-4-amino-2-methyl-5-phenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C19H24N2O5
SMILES
CCOC(=O)C1=C(N(C(=C1N)C2=CC=CC=C2)COCCOC(=O)C)C
InChI
InChI=1S/C19H24N2O5/c1-4-25-19(23)16-13(2)21(12-24-10-11-26-14(3)22)18(17(16)20)15-8-6-5-7-9-15/h5-9H,4,10-12,20H2,1-3H3
InChIKey
YBIKAWYPUBYRHA-UHFFFAOYSA-N
Compound name
ethyl 1-(2-acetyloxyethoxymethyl)-4-amino-2-methyl-5-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17580 185.7
[M+Na]+ 383.15774 192.2
[M-H]- 359.16124 191.0
[M+NH4]+ 378.20234 198.5
[M+K]+ 399.13168 189.9
[M+H-H2O]+ 343.16578 177.1
[M+HCOO]- 405.16672 207.7
[M+CH3COO]- 419.18237 217.8
[M+Na-2H]- 381.14319 183.3
[M]+ 360.16797 192.0
[M]- 360.16907 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.