CID 3025657

4-(((2-bromophenyl)(5-chloro-2-hydroxyphenyl)methylene)amino)pentanoic acid

Structural Information

Molecular Formula
C18H17BrClNO3
SMILES
CC(CCC(=O)O)N=C(C1=CC=CC=C1Br)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C18H17BrClNO3/c1-11(6-9-17(23)24)21-18(13-4-2-3-5-15(13)19)14-10-12(20)7-8-16(14)22/h2-5,7-8,10-11,22H,6,9H2,1H3,(H,23,24)
InChIKey
ZIQSVKSTKQSSPC-UHFFFAOYSA-N
Compound name
4-[[(2-bromophenyl)-(5-chloro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.00803 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.01531 184.6
[M+Na]+ 431.99725 193.8
[M-H]- 408.00075 192.0
[M+NH4]+ 427.04185 198.8
[M+K]+ 447.97119 180.0
[M+H-H2O]+ 392.00529 183.3
[M+HCOO]- 454.00623 198.2
[M+CH3COO]- 468.02188 218.1
[M+Na-2H]- 429.98270 185.3
[M]+ 409.00748 205.2
[M]- 409.00858 205.2
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.