CID 3025658

4-(((2-bromophenyl)(5-chloro-2-hydroxyphenyl)methylene)amino)pentanamide

Structural Information

Molecular Formula
C18H18BrClN2O2
SMILES
CC(CCC(=O)N)N=C(C1=CC=CC=C1Br)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C18H18BrClN2O2/c1-11(6-9-17(21)24)22-18(13-4-2-3-5-15(13)19)14-10-12(20)7-8-16(14)23/h2-5,7-8,10-11,23H,6,9H2,1H3,(H2,21,24)
InChIKey
AYORININVNFILZ-UHFFFAOYSA-N
Compound name
4-[[(2-bromophenyl)-(5-chloro-2-hydroxyphenyl)methylidene]amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.02402 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.03130 187.1
[M+Na]+ 431.01324 196.0
[M-H]- 407.01674 195.2
[M+NH4]+ 426.05784 201.5
[M+K]+ 446.98718 181.7
[M+H-H2O]+ 391.02128 185.0
[M+HCOO]- 453.02222 202.2
[M+CH3COO]- 467.03787 222.6
[M+Na-2H]- 428.99869 187.4
[M]+ 408.02347 206.4
[M]- 408.02457 206.4
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.