CID 45054528

N'-(3-bromobenzylidene)tetradecanohydrazide

Structural Information

Molecular Formula
C21H33BrN2O
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=CC=C1)Br
InChI
InChI=1S/C21H33BrN2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-21(25)24-23-18-19-14-13-15-20(22)17-19/h13-15,17-18H,2-12,16H2,1H3,(H,24,25)/b23-18+
InChIKey
PHDWZLAOHIBULD-PTGBLXJZSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.17764 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18492 196.7
[M+Na]+ 431.16686 201.9
[M-H]- 407.17036 201.7
[M+NH4]+ 426.21146 211.2
[M+K]+ 447.14080 188.1
[M+H-H2O]+ 391.17490 192.7
[M+HCOO]- 453.17584 217.4
[M+CH3COO]- 467.19149 228.0
[M+Na-2H]- 429.15231 198.2
[M]+ 408.17709 218.7
[M]- 408.17819 218.7
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.