CID 51060717

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H18ClN3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H18ClN3O4/c27-20-12-10-19(11-13-20)26(33)34-21-14-8-17(9-15-21)16-28-30-25(32)24(31)29-23-7-3-5-18-4-1-2-6-22(18)23/h1-16H,(H,29,31)(H,30,32)/b28-16+
InChIKey
SJKUKZSTQISXTC-LQKURTRISA-N
Compound name
[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

471.09857 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.10585 210.4
[M+Na]+ 494.08779 215.3
[M-H]- 470.09129 221.4
[M+NH4]+ 489.13239 218.8
[M+K]+ 510.06173 209.9
[M+H-H2O]+ 454.09583 199.7
[M+HCOO]- 516.09677 230.0
[M+CH3COO]- 530.11242 240.9
[M+Na-2H]- 492.07324 214.0
[M]+ 471.09802 213.9
[M]- 471.09912 213.9
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.