CID 49766971

Ethyl 1-(3-hydrazino-3-oxo-propyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxylate

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)CCC(=O)NN)C
InChI
InChI=1S/C23H25N3O3/c1-3-29-23(28)20-15-21(26(16(20)2)14-13-22(27)25-24)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15H,3,13-14,24H2,1-2H3,(H,25,27)
InChIKey
VVJKCSUFGVDISX-UHFFFAOYSA-N
Compound name
ethyl 1-(3-hydrazinyl-3-oxopropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.1896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 196.4
[M+Na]+ 414.17882 201.6
[M-H]- 390.18232 204.7
[M+NH4]+ 409.22342 207.0
[M+K]+ 430.15276 196.7
[M+H-H2O]+ 374.18686 186.2
[M+HCOO]- 436.18780 218.9
[M+CH3COO]- 450.20345 226.6
[M+Na-2H]- 412.16427 194.5
[M]+ 391.18905 197.9
[M]- 391.19015 197.9
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.