CID 9555783

Nsc623755

Structural Information

Molecular Formula
C25H14Cl2N4O6
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C\2/C(C(=O)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)C4=NC5=CC=CC=C5O4)O
InChI
InChI=1S/C25H14Cl2N4O6/c26-12-9-10-16(14(27)11-12)31-24(35)20(29-30-22(34)13-5-1-3-7-17(13)32)19(21(33)25(31)36)23-28-15-6-2-4-8-18(15)37-23/h1-11,19,32H,(H,30,34)/b29-20-
InChIKey
STKDZBKKTJLTOL-BRPDVVIDSA-N
Compound name
N-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.02905 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.03633 224.3
[M+Na]+ 559.01827 234.6
[M-H]- 535.02177 236.6
[M+NH4]+ 554.06287 228.8
[M+K]+ 574.99221 229.1
[M+H-H2O]+ 519.02631 213.5
[M+HCOO]- 581.02725 234.2
[M+CH3COO]- 595.04290 232.3
[M+Na-2H]- 557.00372 222.8
[M]+ 536.02850 230.9
[M]- 536.02960 230.9
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.