CID 45054350

1-(2-(((1-br-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate

Structural Information

Molecular Formula
C31H23BrN2O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=C(C5=CC=CC=C5C=C4)Br
InChI
InChI=1S/C31H23BrN2O4/c1-20-10-12-23(13-11-20)31(36)38-27-16-14-21-6-2-4-8-24(21)26(27)18-33-34-29(35)19-37-28-17-15-22-7-3-5-9-25(22)30(28)32/h2-18H,19H2,1H3,(H,34,35)/b33-18+
InChIKey
LHKLXGQPDSNLMN-DPNNOFEESA-N
Compound name
[1-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.0841 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.09138 231.3
[M+Na]+ 589.07332 238.3
[M-H]- 565.07682 244.4
[M+NH4]+ 584.11792 239.7
[M+K]+ 605.04726 226.8
[M+H-H2O]+ 549.08136 224.6
[M+HCOO]- 611.08230 250.3
[M+CH3COO]- 625.09795 239.7
[M+Na-2H]- 587.05877 235.0
[M]+ 566.08355 253.0
[M]- 566.08465 253.0
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.