CID 9630732

2-(4-chlorophenoxy)-n'-(4-nitrobenzylidene)propanohydrazide

Structural Information

Molecular Formula
C16H14ClN3O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H14ClN3O4/c1-11(24-15-8-4-13(17)5-9-15)16(21)19-18-10-12-2-6-14(7-3-12)20(22)23/h2-11H,1H3,(H,19,21)/b18-10+
InChIKey
KYPPPSGQSSMKQF-VCHYOVAHSA-N
Compound name
2-(4-chlorophenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07458 178.2
[M+Na]+ 370.05652 182.9
[M-H]- 346.06002 185.6
[M+NH4]+ 365.10112 190.7
[M+K]+ 386.03046 175.3
[M+H-H2O]+ 330.06456 174.7
[M+HCOO]- 392.06550 200.5
[M+CH3COO]- 406.08115 210.2
[M+Na-2H]- 368.04197 183.2
[M]+ 347.06675 180.2
[M]- 347.06785 180.2
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.