CID 201384

5882-42-8

Structural Information

Molecular Formula
C18H21NO3
SMILES
C1COCCN1CCC(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C18H21NO3/c20-18(21)17(8-9-19-10-12-22-13-11-19)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,17H,8-13H2,(H,20,21)
InChIKey
UTABDFDVDKFXRY-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.3
[M+Na]+ 322.14135 173.5
[M-H]- 298.14485 174.2
[M+NH4]+ 317.18595 182.0
[M+K]+ 338.11529 170.6
[M+H-H2O]+ 282.14939 161.2
[M+HCOO]- 344.15033 183.7
[M+CH3COO]- 358.16598 201.2
[M+Na-2H]- 320.12680 173.6
[M]+ 299.15158 167.1
[M]- 299.15268 167.1
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