CID 456869

251307-03-6

Structural Information

Molecular Formula
C15H15ClN2O3
SMILES
CCOC(=O)C1=C(NC(=C1C=NC2=CC=C(C=C2)Cl)O)C
InChI
InChI=1S/C15H15ClN2O3/c1-3-21-15(20)13-9(2)18-14(19)12(13)8-17-11-6-4-10(16)5-7-11/h4-8,18-19H,3H2,1-2H3
InChIKey
QECJHEURTWFLJE-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-chlorophenyl)iminomethyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

306.07712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08440 169.3
[M+Na]+ 329.06634 178.6
[M-H]- 305.06984 174.1
[M+NH4]+ 324.11094 185.0
[M+K]+ 345.04028 172.9
[M+H-H2O]+ 289.07438 162.4
[M+HCOO]- 351.07532 187.7
[M+CH3COO]- 365.09097 202.5
[M+Na-2H]- 327.05179 169.8
[M]+ 306.07657 173.2
[M]- 306.07767 173.2
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.