CID 11688535

1h-pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-, hydrazide

Structural Information

Molecular Formula
C17H21N3O4
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)CC(=O)NN)C
InChI
InChI=1S/C17H21N3O4/c1-4-24-17(22)14-9-15(12-5-7-13(23-3)8-6-12)20(11(14)2)10-16(21)19-18/h5-9H,4,10,18H2,1-3H3,(H,19,21)
InChIKey
OQRHLPDZTQXEJA-UHFFFAOYSA-N
Compound name
ethyl 1-(2-hydrazinyl-2-oxoethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 177.9
[M+Na]+ 354.14242 184.5
[M-H]- 330.14592 183.6
[M+NH4]+ 349.18702 191.6
[M+K]+ 370.11636 182.1
[M+H-H2O]+ 314.15046 169.4
[M+HCOO]- 376.15140 201.4
[M+CH3COO]- 390.16705 215.0
[M+Na-2H]- 352.12787 176.9
[M]+ 331.15265 181.4
[M]- 331.15375 181.4
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.