CID 9687656

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

Structural Information

Molecular Formula
C26H18FN3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C26H18FN3O4/c27-22-10-4-3-9-21(22)26(33)34-19-14-12-17(13-15-19)16-28-30-25(32)24(31)29-23-11-5-7-18-6-1-2-8-20(18)23/h1-16H,(H,29,31)(H,30,32)/b28-16+
InChIKey
GAYBVCROXXGKGJ-LQKURTRISA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.12814 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.13542 206.6
[M+Na]+ 478.11736 210.6
[M-H]- 454.12086 216.3
[M+NH4]+ 473.16196 214.4
[M+K]+ 494.09130 206.0
[M+H-H2O]+ 438.12540 193.9
[M+HCOO]- 500.12634 229.3
[M+CH3COO]- 514.14199 240.2
[M+Na-2H]- 476.10281 209.9
[M]+ 455.12759 206.1
[M]- 455.12869 206.1
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.