CID 11559267

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

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)CCC(=O)NN)C
InChI
InChI=1S/C18H23N3O4/c1-4-25-18(23)15-11-16(13-5-7-14(24-3)8-6-13)21(12(15)2)10-9-17(22)20-19/h5-8,11H,4,9-10,19H2,1-3H3,(H,20,22)
InChIKey
HYWAQLJFXRSKKT-UHFFFAOYSA-N
Compound name
ethyl 1-(3-hydrazinyl-3-oxopropyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.16885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 182.5
[M+Na]+ 368.15807 188.6
[M-H]- 344.16157 187.9
[M+NH4]+ 363.20267 195.5
[M+K]+ 384.13201 185.9
[M+H-H2O]+ 328.16611 173.7
[M+HCOO]- 390.16705 205.6
[M+CH3COO]- 404.18270 218.0
[M+Na-2H]- 366.14352 180.9
[M]+ 345.16830 186.2
[M]- 345.16940 186.2
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.