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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 165.6
[M+Na]+ 310.11620 172.2
[M-H]- 286.11970 170.2
[M+NH4]+ 305.16080 180.5
[M+K]+ 326.09014 168.3
[M+H-H2O]+ 270.12424 157.3
[M+HCOO]- 332.12518 189.7
[M+CH3COO]- 346.14083 202.8
[M+Na-2H]- 308.10165 167.9
[M]+ 287.12643 166.2
[M]- 287.12753 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.