CID 11667064

1h-pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl-, hydrazide

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CCC(=O)NN)C
InChI
InChI=1S/C18H23N3O3/c1-4-24-18(23)16-12(2)17(14-8-6-5-7-9-14)21(13(16)3)11-10-15(22)20-19/h5-9H,4,10-11,19H2,1-3H3,(H,20,22)
InChIKey
HQSOORAILFBHLG-UHFFFAOYSA-N
Compound name
ethyl 1-(3-hydrazinyl-3-oxopropyl)-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.17395 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 180.0
[M+Na]+ 352.16317 186.4
[M-H]- 328.16667 185.5
[M+NH4]+ 347.20777 193.9
[M+K]+ 368.13711 183.0
[M+H-H2O]+ 312.17121 171.5
[M+HCOO]- 374.17215 203.0
[M+CH3COO]- 388.18780 215.8
[M+Na-2H]- 350.14862 178.3
[M]+ 329.17340 182.4
[M]- 329.17450 182.4
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.