CID 45055131

N'-(2-chloro-5-nitrobenzylidene)-4-((4-methylbenzyl)oxy)benzohydrazide

Structural Information

Molecular Formula
C22H18ClN3O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C22H18ClN3O4/c1-15-2-4-16(5-3-15)14-30-20-9-6-17(7-10-20)22(27)25-24-13-18-12-19(26(28)29)8-11-21(18)23/h2-13H,14H2,1H3,(H,25,27)/b24-13+
InChIKey
QMMPKTPUUKVIFN-ZMOGYAJESA-N
Compound name
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.09857 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.10585 199.3
[M+Na]+ 446.08779 214.8
[M+NH4]+ 441.13239 206.2
[M+K]+ 462.06173 208.2
[M-H]- 422.09129 207.8
[M+Na-2H]- 444.07324 209.1
[M]+ 423.09802 204.1
[M]- 423.09912 204.1
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.