CID 45055199

N'-(9-anthrylmethylene)-2-(2,3-dichlorophenoxy)acetohydrazide

Structural Information

Molecular Formula
C23H16Cl2N2O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)COC4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C23H16Cl2N2O2/c24-20-10-5-11-21(23(20)25)29-14-22(28)27-26-13-19-17-8-3-1-6-15(17)12-16-7-2-4-9-18(16)19/h1-13H,14H2,(H,27,28)/b26-13+
InChIKey
NVHBEHHYFRQDOI-LGJNPRDNSA-N
Compound name
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.05887 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.06615 196.9
[M+Na]+ 445.04809 206.9
[M-H]- 421.05159 205.7
[M+NH4]+ 440.09269 210.4
[M+K]+ 461.02203 198.9
[M+H-H2O]+ 405.05613 188.2
[M+HCOO]- 467.05707 212.5
[M+CH3COO]- 481.07272 207.2
[M+Na-2H]- 443.03354 203.1
[M]+ 422.05832 204.7
[M]- 422.05942 204.7
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.