CID 567581

Ns00063583

Structural Information

Molecular Formula
C21H25NO3
SMILES
CC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C21H25NO3/c1-17(16-22-12-14-25-15-13-22)21(20(23)24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,23,24)
InChIKey
AWLNVHVUYACOMZ-UHFFFAOYSA-N
Compound name
3-methyl-4-morpholin-4-yl-2,2-diphenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

339.18344 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 181.5
[M+Na]+ 362.172658 182.7
[M-H]- 338.176164 187.2
[M+NH4]+ 357.217263 189.9
[M+K]+ 378.146598 179.9
[M+H-H2O]+ 322.180700 171.7
[M+HCOO]- 384.181641 193.9
[M+CH3COO]- 398.197291 207.7
[M+Na-2H]- 360.158106 184.2
[M]+ 339.18289142 177.0
[M]- 339.18398858 177.0
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.