CID 9665584

1-(2-(2-fluorobenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H21FN2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=CC=C4F)OC
InChI
InChI=1S/C27H21FN2O5/c1-33-24-14-12-18(15-25(24)34-2)27(32)35-23-13-11-17-7-3-4-8-19(17)21(23)16-29-30-26(31)20-9-5-6-10-22(20)28/h3-16H,1-2H3,(H,30,31)/b29-16+
InChIKey
PRINHIYAUBTGFU-MUFRIFMGSA-N
Compound name
[1-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.14346 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.15074 213.4
[M+Na]+ 495.13268 219.2
[M-H]- 471.13618 223.6
[M+NH4]+ 490.17728 221.3
[M+K]+ 511.10662 215.2
[M+H-H2O]+ 455.14072 200.3
[M+HCOO]- 517.14166 235.5
[M+CH3COO]- 531.15731 243.5
[M+Na-2H]- 493.11813 215.1
[M]+ 472.14291 217.3
[M]- 472.14401 217.3
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.