CID 12093080

1h-pyrrole-1-acetic acid, 5-[1,1'-biphenyl]-4-yl-3-(ethoxycarbonyl)-2-methyl-, hydrazide

Structural Information

Molecular Formula
C22H23N3O3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)NN)C
InChI
InChI=1S/C22H23N3O3/c1-3-28-22(27)19-13-20(25(15(19)2)14-21(26)24-23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-13H,3,14,23H2,1-2H3,(H,24,26)
InChIKey
HTJSZEWRGCKWJG-UHFFFAOYSA-N
Compound name
ethyl 1-(2-hydrazinyl-2-oxoethyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.17395 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 191.9
[M+Na]+ 400.16317 197.6
[M-H]- 376.16667 200.4
[M+NH4]+ 395.20777 203.2
[M+K]+ 416.13711 193.0
[M+H-H2O]+ 360.17121 182.0
[M+HCOO]- 422.17215 214.8
[M+CH3COO]- 436.18780 223.6
[M+Na-2H]- 398.14862 190.6
[M]+ 377.17340 193.1
[M]- 377.17450 193.1
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.