CID 9630714

4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C23H18FN3O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C23H18FN3O4/c1-15-6-10-17(11-7-15)26-21(28)22(29)27-25-14-16-8-12-18(13-9-16)31-23(30)19-4-2-3-5-20(19)24/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
BNQUDHDDMNAGSF-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.12814 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.13542 199.4
[M+Na]+ 442.11736 210.2
[M+NH4]+ 437.16196 203.7
[M+K]+ 458.09130 203.7
[M-H]- 418.12086 204.1
[M+Na-2H]- 440.10281 207.5
[M]+ 419.12759 201.8
[M]- 419.12869 201.8
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.