CID 135483935

Nsc625913

Structural Information

Molecular Formula
C19H16Cl2N4O5
SMILES
CC(/C(=N/NC(=O)C(=O)N)/C1=C(C=CC(=C1O)Cl)Cl)C2(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C19H16Cl2N4O5/c1-8(19(30)9-4-2-3-5-12(9)23-18(19)29)14(24-25-17(28)16(22)27)13-10(20)6-7-11(21)15(13)26/h2-8,26,30H,1H3,(H2,22,27)(H,23,29)(H,25,28)/b24-14-
InChIKey
XCMZQLSKBKYPEW-OYKKKHCWSA-N
Compound name
N'-[(Z)-[1-(3,6-dichloro-2-hydroxyphenyl)-2-(3-hydroxy-2-oxo-1H-indol-3-yl)propylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.04977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.05705 196.8
[M+Na]+ 473.03899 203.9
[M-H]- 449.04249 200.6
[M+NH4]+ 468.08359 208.2
[M+K]+ 489.01293 198.5
[M+H-H2O]+ 433.04703 192.3
[M+HCOO]- 495.04797 205.5
[M+CH3COO]- 509.06362 231.1
[M+Na-2H]- 471.02444 195.2
[M]+ 450.04922 198.1
[M]- 450.05032 198.1
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.