CID 51060373

1-(2-((3-chloro-2-methylanilino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H18Cl3N3O4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H18Cl3N3O4/c1-15-21(29)7-4-8-23(15)32-25(34)26(35)33-31-14-20-18-6-3-2-5-16(18)9-12-24(20)37-27(36)19-11-10-17(28)13-22(19)30/h2-14H,1H3,(H,32,34)(H,33,35)/b31-14+
InChIKey
CWQODXKDIUQZTI-XAZZYMPDSA-N
Compound name
[1-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.0363 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.04358 226.1
[M+Na]+ 576.02552 233.8
[M-H]- 552.02902 236.0
[M+NH4]+ 571.07012 233.3
[M+K]+ 591.99946 227.6
[M+H-H2O]+ 536.03356 217.6
[M+HCOO]- 598.03450 235.3
[M+CH3COO]- 612.05015 254.1
[M+Na-2H]- 574.01097 225.5
[M]+ 553.03575 234.1
[M]- 553.03685 234.1
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.