CID 9664816

4-(2-dodecanoylcarbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C26H33BrN2O3
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C26H33BrN2O3/c1-2-3-4-5-6-7-8-9-10-15-25(30)29-28-20-21-16-18-22(19-17-21)32-26(31)23-13-11-12-14-24(23)27/h11-14,16-20H,2-10,15H2,1H3,(H,29,30)/b28-20+
InChIKey
GICRDPBGRFEFIE-VFCFBJKWSA-N
Compound name
[4-[(E)-(dodecanoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.16745 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.17473 217.4
[M+Na]+ 523.15667 221.8
[M-H]- 499.16017 225.2
[M+NH4]+ 518.20127 227.7
[M+K]+ 539.13061 208.4
[M+H-H2O]+ 483.16471 212.0
[M+HCOO]- 545.16565 237.3
[M+CH3COO]- 559.18130 242.0
[M+Na-2H]- 521.14212 217.1
[M]+ 500.16690 240.1
[M]- 500.16800 240.1
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.