CID 3736602

N'-[(3z)-1-benzyl-5-nitro-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-2,4-dichlorobenzohydrazide

Structural Information

Molecular Formula
C22H14Cl2N4O4
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H14Cl2N4O4/c23-14-6-8-16(18(24)10-14)21(29)26-25-20-17-11-15(28(31)32)7-9-19(17)27(22(20)30)12-13-4-2-1-3-5-13/h1-11,30H,12H2
InChIKey
WDUQKGOMXXCUCF-UHFFFAOYSA-N
Compound name
N-(1-benzyl-2-hydroxy-5-nitroindol-3-yl)imino-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.0392 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.04648 210.6
[M+Na]+ 491.02842 218.5
[M-H]- 467.03192 220.8
[M+NH4]+ 486.07302 220.1
[M+K]+ 507.00236 208.2
[M+H-H2O]+ 451.03646 205.4
[M+HCOO]- 513.03740 227.7
[M+CH3COO]- 527.05305 231.7
[M+Na-2H]- 489.01387 214.3
[M]+ 468.03865 217.0
[M]- 468.03975 217.0
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.