CID 9637382

1-(2-((4-fluoroanilino)(oxo)ac)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H20FN3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=C(C=C4)F
InChI
InChI=1S/C27H20FN3O5/c1-35-21-13-6-18(7-14-21)27(34)36-24-15-8-17-4-2-3-5-22(17)23(24)16-29-31-26(33)25(32)30-20-11-9-19(28)10-12-20/h2-16H,1H3,(H,30,32)(H,31,33)/b29-16+
InChIKey
WFKQPIRUTDECDU-MUFRIFMGSA-N
Compound name
[1-[(E)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1387 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.14598 214.3
[M+Na]+ 508.12792 218.4
[M-H]- 484.13142 224.1
[M+NH4]+ 503.17252 221.0
[M+K]+ 524.10186 214.7
[M+H-H2O]+ 468.13596 201.3
[M+HCOO]- 530.13690 236.7
[M+CH3COO]- 544.15255 246.6
[M+Na-2H]- 506.11337 216.5
[M]+ 485.13815 215.8
[M]- 485.13925 215.8
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.