CID 45054781

1-(2-((4-butoxyphenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C32H32N2O7
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C32H32N2O7/c1-4-5-18-39-24-12-14-25(15-13-24)40-21-31(35)34-33-20-27-26-9-7-6-8-22(26)10-16-28(27)41-32(36)23-11-17-29(37-2)30(19-23)38-3/h6-17,19-20H,4-5,18,21H2,1-3H3,(H,34,35)/b33-20+
InChIKey
GABXYKLOMHGYKC-FMFFXOCNSA-N
Compound name
[1-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.22095 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.22823 236.2
[M+Na]+ 579.21017 238.7
[M-H]- 555.21367 246.5
[M+NH4]+ 574.25477 240.2
[M+K]+ 595.18411 236.4
[M+H-H2O]+ 539.21821 222.5
[M+HCOO]- 601.21915 257.7
[M+CH3COO]- 615.23480 259.5
[M+Na-2H]- 577.19562 236.5
[M]+ 556.22040 245.2
[M]- 556.22150 245.2
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.