CID 45054669

N'-(3-bromobenzylidene)octadecanohydrazide

Structural Information

Molecular Formula
C25H41BrN2O
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=CC=C1)Br
InChI
InChI=1S/C25H41BrN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(29)28-27-22-23-18-17-19-24(26)21-23/h17-19,21-22H,2-16,20H2,1H3,(H,28,29)/b27-22+
InChIKey
XQICQKZUPLJHBC-HPNDGRJYSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.24023 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.24751 214.1
[M+Na]+ 487.22945 217.7
[M-H]- 463.23295 218.3
[M+NH4]+ 482.27405 226.4
[M+K]+ 503.20339 203.0
[M+H-H2O]+ 447.23749 209.3
[M+HCOO]- 509.23843 233.4
[M+CH3COO]- 523.25408 239.0
[M+Na-2H]- 485.21490 213.6
[M]+ 464.23968 237.5
[M]- 464.24078 237.5
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.