CID 9636215

4-(2-tetradecanoylcarbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C28H37BrN2O3
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C28H37BrN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-27(32)31-30-22-23-18-20-24(21-19-23)34-28(33)25-15-13-14-16-26(25)29/h13-16,18-22H,2-12,17H2,1H3,(H,31,32)/b30-22+
InChIKey
GMVFPACNHFHGGA-JBASAIQMSA-N
Compound name
[4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1987 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.20598 226.1
[M+Na]+ 551.18792 229.6
[M-H]- 527.19142 233.5
[M+NH4]+ 546.23252 235.2
[M+K]+ 567.16186 215.8
[M+H-H2O]+ 511.19596 220.3
[M+HCOO]- 573.19690 245.3
[M+CH3COO]- 587.21255 247.4
[M+Na-2H]- 549.17337 224.8
[M]+ 528.19815 249.4
[M]- 528.19925 249.4
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.