CID 51060516

880066-15-9

Structural Information

Molecular Formula
C27H20ClN3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H20ClN3O5/c1-35-24-15-17(9-14-23(24)36-27(34)19-10-12-20(28)13-11-19)16-29-31-26(33)25(32)30-22-8-4-6-18-5-2-3-7-21(18)22/h2-16H,1H3,(H,30,32)(H,31,33)/b29-16+
InChIKey
PPCOWIPUSASRLN-MUFRIFMGSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.10916 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.11644 218.2
[M+Na]+ 524.09838 231.9
[M+NH4]+ 519.14298 223.7
[M+K]+ 540.07232 223.5
[M-H]- 500.10188 225.3
[M+Na-2H]- 522.08383 227.0
[M]+ 501.10861 222.2
[M]- 501.10971 222.2
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.