CID 135684858

N'-(5-bromo-2-hydroxybenzylidene)-2-(4-butylphenoxy)acetohydrazide

Structural Information

Molecular Formula
C19H21BrN2O3
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C19H21BrN2O3/c1-2-3-4-14-5-8-17(9-6-14)25-13-19(24)22-21-12-15-11-16(20)7-10-18(15)23/h5-12,23H,2-4,13H2,1H3,(H,22,24)/b21-12+
InChIKey
VCXZZZRBDQYWBT-CIAFOILYSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-butylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.07355 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08083 186.9
[M+Na]+ 427.06277 194.7
[M-H]- 403.06627 195.2
[M+NH4]+ 422.10737 200.8
[M+K]+ 443.03671 182.1
[M+H-H2O]+ 387.07081 183.1
[M+HCOO]- 449.07175 208.5
[M+CH3COO]- 463.08740 222.3
[M+Na-2H]- 425.04822 190.4
[M]+ 404.07300 207.5
[M]- 404.07410 207.5
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.