CID 9631533

769152-78-5

Structural Information

Molecular Formula
C24H20ClN3O5
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C24H20ClN3O5/c1-15-7-10-17(11-8-15)27-22(29)23(30)28-26-14-16-9-12-20(21(13-16)32-2)33-24(31)18-5-3-4-6-19(18)25/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
InChIKey
XAJUFPYVTGDZPE-VULFUBBASA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.10916 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.11644 209.8
[M+Na]+ 488.09838 222.2
[M+NH4]+ 483.14298 214.6
[M+K]+ 504.07232 215.2
[M-H]- 464.10188 215.8
[M+Na-2H]- 486.08383 218.0
[M]+ 465.10861 213.2
[M]- 465.10971 213.2
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.