CID 3046736

Sl 75,075

Structural Information

Molecular Formula
C24H31NO3
SMILES
C1=CC=C(C=C1)C(=NCCCCCCCCCCC(=O)O)C2=CC=CC=C2O
InChI
InChI=1S/C24H31NO3/c26-22-17-12-11-16-21(22)24(20-14-8-7-9-15-20)25-19-13-6-4-2-1-3-5-10-18-23(27)28/h7-9,11-12,14-17,26H,1-6,10,13,18-19H2,(H,27,28)
InChIKey
UHEHOSKNMJCULX-UHFFFAOYSA-N
Compound name
11-[[(2-hydroxyphenyl)-phenylmethylidene]amino]undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 197.4
[M+Na]+ 404.219618 198.9
[M-H]- 380.223124 200.8
[M+NH4]+ 399.264223 207.4
[M+K]+ 420.193558 193.5
[M+H-H2O]+ 364.227660 187.8
[M+HCOO]- 426.228601 216.8
[M+CH3COO]- 440.244251 221.0
[M+Na-2H]- 402.205066 196.9
[M]+ 381.22985142 199.2
[M]- 381.23094858 199.2
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.