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 199.2
[M+Na]+ 442.11736 203.6
[M-H]- 418.12086 208.6
[M+NH4]+ 437.16196 208.0
[M+K]+ 458.09130 199.8
[M+H-H2O]+ 402.12540 187.2
[M+HCOO]- 464.12634 223.6
[M+CH3COO]- 478.14199 233.5
[M+Na-2H]- 440.10281 200.6
[M]+ 419.12759 199.1
[M]- 419.12869 199.1
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.