CID 45055140

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

Structural Information

Molecular Formula
C27H20Br2N2O4
SMILES
CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br
InChI
InChI=1S/C27H20Br2N2O4/c1-17-6-2-4-8-21(17)27(33)35-23-13-11-20(28)14-19(23)15-30-31-25(32)16-34-24-12-10-18-7-3-5-9-22(18)26(24)29/h2-15H,16H2,1H3,(H,31,32)/b30-15+
InChIKey
ZKMJERTYBFNLHC-FJEPWZHXSA-N
Compound name
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.979 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.98628 212.0
[M+Na]+ 616.96822 217.4
[M-H]- 592.97172 223.2
[M+NH4]+ 612.01282 220.7
[M+K]+ 632.94216 203.2
[M+H-H2O]+ 576.97626 215.0
[M+HCOO]- 638.97720 226.3
[M+CH3COO]- 652.99285 250.2
[M+Na-2H]- 614.95367 213.8
[M]+ 593.97845 247.3
[M]- 593.97955 247.3
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.