CID 9636452

4-bromo-2-(2-tetradecanoylcarbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C29H39BrN2O4
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C29H39BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-28(33)32-31-22-24-21-25(30)17-20-27(24)36-29(34)23-15-18-26(35-2)19-16-23/h15-22H,3-14H2,1-2H3,(H,32,33)/b31-22+
InChIKey
NKMOOSBXHMTUSW-DFKUXCBWSA-N
Compound name
[4-bromo-2-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.2093 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.21658 232.4
[M+Na]+ 581.19852 236.0
[M-H]- 557.20202 239.9
[M+NH4]+ 576.24312 240.5
[M+K]+ 597.17246 222.9
[M+H-H2O]+ 541.20656 226.3
[M+HCOO]- 603.20750 251.3
[M+CH3COO]- 617.22315 253.1
[M+Na-2H]- 579.18397 230.1
[M]+ 558.20875 257.7
[M]- 558.20985 257.7
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.