CID 139595659

Ns00009337

Structural Information

Molecular Formula
C18H12Cl2N2O3
SMILES
C1=CC(=CC=C1C2=C(C(=C(N2)O)C(=N)C3=CC=C(C=C3)Cl)C(=O)O)Cl
InChI
InChI=1S/C18H12Cl2N2O3/c19-11-5-1-9(2-6-11)15(21)13-14(18(24)25)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8,21-23H,(H,24,25)
InChIKey
IHAOAZIXCJNMPR-UHFFFAOYSA-N
Compound name
4-(4-chlorobenzenecarboximidoyl)-2-(4-chlorophenyl)-5-hydroxy-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0225 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.029776 181.9
[M+Na]+ 397.011718 191.0
[M-H]- 373.015224 187.1
[M+NH4]+ 392.056323 193.5
[M+K]+ 412.985658 182.5
[M+H-H2O]+ 357.019760 175.5
[M+HCOO]- 419.020701 191.7
[M+CH3COO]- 433.036351 210.8
[M+Na-2H]- 394.997166 180.1
[M]+ 374.02195142 182.6
[M]- 374.02304858 182.6
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.