CID 45054650

N'-(3-bromobenzylidene)hexadecanohydrazide

Structural Information

Molecular Formula
C23H37BrN2O
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=CC=C1)Br
InChI
InChI=1S/C23H37BrN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(27)26-25-20-21-16-15-17-22(24)19-21/h15-17,19-20H,2-14,18H2,1H3,(H,26,27)/b25-20+
InChIKey
SXUOYSOGYVYYGA-LKUDQCMESA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.20892 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.21620 205.4
[M+Na]+ 459.19814 209.8
[M-H]- 435.20164 210.1
[M+NH4]+ 454.24274 218.9
[M+K]+ 475.17208 195.6
[M+H-H2O]+ 419.20618 201.0
[M+HCOO]- 481.20712 225.4
[M+CH3COO]- 495.22277 233.5
[M+Na-2H]- 457.18359 205.9
[M]+ 436.20837 228.1
[M]- 436.20947 228.1
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.