CID 6013204

Nsc623732

Structural Information

Molecular Formula
C18H10Cl2N4O4
SMILES
C1=CC=C2C(=C1)N=C(O2)C3/C(=N/N)/C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H10Cl2N4O4/c19-8-5-6-11(9(20)7-8)24-17(26)14(23-21)13(15(25)18(24)27)16-22-10-3-1-2-4-12(10)28-16/h1-7,13H,21H2/b23-14-
InChIKey
MCQVCSPRKTXCTO-UCQKPKSFSA-N
Compound name
(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5-hydrazinylidenepiperidine-2,3,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0079 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.01518 197.2
[M+Na]+ 438.99712 209.9
[M-H]- 415.00062 207.4
[M+NH4]+ 434.04172 207.8
[M+K]+ 454.97106 203.8
[M+H-H2O]+ 399.00516 188.0
[M+HCOO]- 461.00610 209.7
[M+CH3COO]- 475.02175 207.8
[M+Na-2H]- 436.98257 197.3
[M]+ 416.00735 202.5
[M]- 416.00845 202.5
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.