CID 514114

Chembl430143

Structural Information

Molecular Formula
C18H14Cl2N2O4
SMILES
CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)O)O
InChI
InChI=1S/C18H14Cl2N2O4/c1-2-15(23)16-12-6-4-10(8-14(12)22(26)18(16)25)21-17(24)11-5-3-9(19)7-13(11)20/h3-8,25-26H,2H2,1H3,(H,21,24)
InChIKey
OAJQELHUMNKOCX-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(1,2-dihydroxy-3-propanoylindol-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

392.03305 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04033 185.3
[M+Na]+ 415.02227 196.5
[M-H]- 391.02577 190.1
[M+NH4]+ 410.06687 198.6
[M+K]+ 430.99621 189.5
[M+H-H2O]+ 375.03031 179.6
[M+HCOO]- 437.03125 196.5
[M+CH3COO]- 451.04690 217.2
[M+Na-2H]- 413.00772 184.9
[M]+ 392.03250 192.1
[M]- 392.03360 192.1
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.