CID 135483821

2-methyl-3-carbethoxy-4-phenylhydrazono-5-hydroxypyrrole

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₃

SMILES

CCOC(=O)C1=C(NC(=C1/C=N/NC2=CC=CC=C2)O)C

InChI

InChI=1S/C15H17N3O3/c1-3-21-15(20)13-10(2)17-14(19)12(13)9-16-18-11-7-5-4-6-8-11/h4-9,17-19H,3H2,1-2H3/b16-9+

InChIKey

UNLFFDYMXFBVBK-CXUHLZMHSA-N

Compound name

ethyl 5-hydroxy-2-methyl-4-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrrole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.12698 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.134256	165.6
[M+Na]+	310.116198	172.2
[M-H]-	286.119704	170.2
[M+NH4]+	305.160803	180.5
[M+K]+	326.090138	168.3
[M+H-H2O]+	270.124240	157.3
[M+HCOO]-	332.125181	189.7
[M+CH3COO]-	346.140831	202.8
[M+Na-2H]-	308.101646	167.9
[M]+	287.12643142	166.2
[M]-	287.12752858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.