CID 9633910

764655-60-9

Structural Information

Molecular Formula
C31H29N3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C31H29N3O6/c1-3-18-39-25-15-8-22(9-16-25)30(36)32-20-29(35)34-33-19-27-26-7-5-4-6-21(26)12-17-28(27)40-31(37)23-10-13-24(38-2)14-11-23/h4-17,19H,3,18,20H2,1-2H3,(H,32,36)(H,34,35)/b33-19+
InChIKey
GVSSOACWKVATPP-HNSNBQBZSA-N
Compound name
[1-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.2056 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.21288 231.7
[M+Na]+ 562.19482 243.1
[M+NH4]+ 557.23942 235.6
[M+K]+ 578.16876 235.4
[M-H]- 538.19832 238.1
[M+Na-2H]- 560.18027 239.1
[M]+ 539.20505 234.8
[M]- 539.20615 234.8
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.