CID 45054338

4-(2-(((1-br-2-naphthyl)oxy)ac)carbohydrazonoyl)-2-meo-ph 4-propoxybenzoate

Structural Information

Molecular Formula
C30H27BrN2O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br)OC
InChI
InChI=1S/C30H27BrN2O6/c1-3-16-37-23-12-9-22(10-13-23)30(35)39-25-14-8-20(17-27(25)36-2)18-32-33-28(34)19-38-26-15-11-21-6-4-5-7-24(21)29(26)31/h4-15,17-18H,3,16,19H2,1-2H3,(H,33,34)/b32-18+
InChIKey
VMBUCXHYOGEWSA-KCSSXMTESA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.1052 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.11248 233.6
[M+Na]+ 613.09442 238.8
[M-H]- 589.09792 245.6
[M+NH4]+ 608.13902 240.3
[M+K]+ 629.06836 228.7
[M+H-H2O]+ 573.10246 226.6
[M+HCOO]- 635.10340 252.7
[M+CH3COO]- 649.11905 256.5
[M+Na-2H]- 611.07987 234.9
[M]+ 590.10465 258.0
[M]- 590.10575 258.0
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.