CID 3046766

Sl 75,100

Structural Information

Molecular Formula
C21H25NO3
SMILES
C1=CC=C(C=C1)C(=NCCCCCCCC(=O)O)C2=CC=CC=C2O
InChI
InChI=1S/C21H25NO3/c23-19-14-9-8-13-18(19)21(17-11-5-4-6-12-17)22-16-10-3-1-2-7-15-20(24)25/h4-6,8-9,11-14,23H,1-3,7,10,15-16H2,(H,24,25)
InChIKey
KBXLNBCPXMTPOX-UHFFFAOYSA-N
Compound name
8-[[(2-hydroxyphenyl)-phenylmethylidene]amino]octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 184.0
[M+Na]+ 362.17266 186.9
[M-H]- 338.17616 188.0
[M+NH4]+ 357.21726 195.8
[M+K]+ 378.14660 182.1
[M+H-H2O]+ 322.18070 175.1
[M+HCOO]- 384.18164 204.5
[M+CH3COO]- 398.19729 212.1
[M+Na-2H]- 360.15811 185.1
[M]+ 339.18289 184.8
[M]- 339.18399 184.8
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.