CID 4601414

Dtxsid101121230

Structural Information

Molecular Formula
C31H30N2O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=CC4=CC=CC=C43)OCC
InChI
InChI=1S/C31H30N2O6/c1-3-18-37-25-15-13-24(14-16-25)31(35)39-28-17-12-22(19-29(28)36-4-2)20-32-33-30(34)21-38-27-11-7-9-23-8-5-6-10-26(23)27/h5-17,19-20H,3-4,18,21H2,1-2H3,(H,33,34)
InChIKey
SZQZDYUKJJTGDM-UHFFFAOYSA-N
Compound name
[2-ethoxy-4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2104 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.21768 229.1
[M+Na]+ 549.19962 231.6
[M-H]- 525.20312 239.3
[M+NH4]+ 544.24422 234.2
[M+K]+ 565.17356 228.3
[M+H-H2O]+ 509.20766 215.7
[M+HCOO]- 571.20860 250.9
[M+CH3COO]- 585.22425 253.2
[M+Na-2H]- 547.18507 230.3
[M]+ 526.20985 236.0
[M]- 526.21095 236.0
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.