CID 9634390

1-(2-(4-(allyloxy)benzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C30H26N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=C(C=C4)OCC=C)OC
InChI
InChI=1S/C30H26N2O6/c1-4-17-37-23-13-9-21(10-14-23)29(33)32-31-19-25-24-8-6-5-7-20(24)11-15-26(25)38-30(34)22-12-16-27(35-2)28(18-22)36-3/h4-16,18-19H,1,17H2,2-3H3,(H,32,33)/b31-19+
InChIKey
PZVAGTOWVYNEOH-ZCTHSVRISA-N
Compound name
[1-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.17908 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.18636 224.5
[M+Na]+ 533.16830 228.7
[M-H]- 509.17180 235.4
[M+NH4]+ 528.21290 230.5
[M+K]+ 549.14224 225.0
[M+H-H2O]+ 493.17634 211.6
[M+HCOO]- 555.17728 246.9
[M+CH3COO]- 569.19293 251.2
[M+Na-2H]- 531.15375 225.5
[M]+ 510.17853 230.9
[M]- 510.17963 230.9
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.