CID 11681215

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

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NN)C
InChI
InChI=1S/C17H21N3O3/c1-3-23-17(22)14-11-15(13-7-5-4-6-8-13)20(12(14)2)10-9-16(21)19-18/h4-8,11H,3,9-10,18H2,1-2H3,(H,19,21)
InChIKey
IYANJZWMKUICBO-UHFFFAOYSA-N
Compound name
ethyl 1-(3-hydrazinyl-3-oxopropyl)-2-methyl-5-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.1583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 175.4
[M+Na]+ 338.14752 181.3
[M-H]- 314.15102 180.7
[M+NH4]+ 333.19212 189.6
[M+K]+ 354.12146 178.1
[M+H-H2O]+ 298.15556 166.7
[M+HCOO]- 360.15650 198.7
[M+CH3COO]- 374.17215 211.5
[M+Na-2H]- 336.13297 174.9
[M]+ 315.15775 177.0
[M]- 315.15885 177.0
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.