CID 242911

6634-56-6

Structural Information

Molecular Formula
C27H36N2O6
SMILES
CC(CCC(=O)O)(C1=CC(=C(C=C1)O)CN2CCOCC2)C3=CC(=C(C=C3)O)CN4CCOCC4
InChI
InChI=1S/C27H36N2O6/c1-27(7-6-26(32)33,22-2-4-24(30)20(16-22)18-28-8-12-34-13-9-28)23-3-5-25(31)21(17-23)19-29-10-14-35-15-11-29/h2-5,16-17,30-31H,6-15,18-19H2,1H3,(H,32,33)
InChIKey
JWNUBAIGCVTLMJ-UHFFFAOYSA-N
Compound name
4,4-bis[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

484.25732 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.26460 219.1
[M+Na]+ 507.24654 218.2
[M-H]- 483.25004 224.0
[M+NH4]+ 502.29114 217.3
[M+K]+ 523.22048 215.7
[M+H-H2O]+ 467.25458 206.9
[M+HCOO]- 529.25552 222.3
[M+CH3COO]- 543.27117 232.6
[M+Na-2H]- 505.23199 216.8
[M]+ 484.25677 213.7
[M]- 484.25787 213.7
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

patents stripe