CID 51060577

4-(2-(((4-fluorobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C23H17FIN3O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F)I
InChI
InChI=1S/C23H17FIN3O4/c24-17-9-7-16(8-10-17)22(30)26-14-21(29)28-27-13-15-5-11-18(12-6-15)32-23(31)19-3-1-2-4-20(19)25/h1-13H,14H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
SQSXMMSMLCAVNI-UVHMKAGCSA-N
Compound name
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.0248 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.03208 220.2
[M+Na]+ 568.01402 216.9
[M-H]- 544.01752 221.5
[M+NH4]+ 563.05862 223.4
[M+K]+ 583.98796 218.7
[M+H-H2O]+ 528.02206 204.1
[M+HCOO]- 590.02300 238.5
[M+CH3COO]- 604.03865 242.0
[M+Na-2H]- 565.99947 208.8
[M]+ 545.02425 217.0
[M]- 545.02535 217.0
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.