CID 5774911

Nsc625912

Structural Information

Molecular Formula
C19H14Cl2N4O4
SMILES
C1C(/C(=N/NC(=O)C(=O)N)/C2=CC=CC=C21)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O
InChI
InChI=1S/C19H14Cl2N4O4/c20-9-6-12-15(13(21)7-9)23-18(28)19(12,29)11-5-8-3-1-2-4-10(8)14(11)24-25-17(27)16(22)26/h1-4,6-7,11,29H,5H2,(H2,22,26)(H,23,28)(H,25,27)/b24-14+
InChIKey
AMYBEIWLALUSRY-ZVHZXABRSA-N
Compound name
N'-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-2,3-dihydroinden-1-ylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.0392 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.04648 196.3
[M+Na]+ 455.02842 205.6
[M-H]- 431.03192 202.4
[M+NH4]+ 450.07302 212.1
[M+K]+ 471.00236 198.6
[M+H-H2O]+ 415.03646 191.7
[M+HCOO]- 477.03740 206.9
[M+CH3COO]- 491.05305 205.4
[M+Na-2H]- 453.01387 195.5
[M]+ 432.03865 197.7
[M]- 432.03975 197.7
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.