CID 9634801

769153-42-6

Structural Information

Molecular Formula
C28H21Cl2N3O4
SMILES
CCC1=CC=C(C=C1)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/C28H21Cl2N3O4/c1-2-17-7-11-20(12-8-17)32-26(34)27(35)33-31-16-23-21-6-4-3-5-18(21)9-14-25(23)37-28(36)22-13-10-19(29)15-24(22)30/h3-16H,2H2,1H3,(H,32,34)(H,33,35)/b31-16+
InChIKey
USYKFWPVXNCPPK-WCMJOSRZSA-N
Compound name
[1-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.0909 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.09818 226.0
[M+Na]+ 556.08012 232.3
[M-H]- 532.08362 236.6
[M+NH4]+ 551.12472 233.2
[M+K]+ 572.05406 226.0
[M+H-H2O]+ 516.08816 216.1
[M+HCOO]- 578.08910 240.0
[M+CH3COO]- 592.10475 252.4
[M+Na-2H]- 554.06557 226.4
[M]+ 533.09035 233.0
[M]- 533.09145 233.0
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.