CID 9569984

Nsc630308

Structural Information

Molecular Formula
C21H21Cl2N5O6
SMILES
COC1=C(C=CC(=C1)C(=O)C/C(=N/NC(=O)C(=O)NN)/CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C21H21Cl2N5O6/c1-34-18-8-11(2-6-16(18)29)17(30)10-13(27-28-21(33)20(32)26-24)4-7-19(31)25-15-5-3-12(22)9-14(15)23/h2-3,5-6,8-9,29H,4,7,10,24H2,1H3,(H,25,31)(H,26,32)(H,28,33)/b27-13+
InChIKey
BHATYSXOCPECIX-UVHMKAGCSA-N
Compound name
(4E)-N-(2,4-dichlorophenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.08688 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.09416 215.9
[M+Na]+ 532.07610 219.2
[M-H]- 508.07960 221.7
[M+NH4]+ 527.12070 221.9
[M+K]+ 548.05004 216.2
[M+H-H2O]+ 492.08414 208.5
[M+HCOO]- 554.08508 230.5
[M+CH3COO]- 568.10073 251.3
[M+Na-2H]- 530.06155 212.6
[M]+ 509.08633 220.4
[M]- 509.08743 220.4
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.