CID 201727

6680-44-0

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C19H23NO3/c1-19(18(21)22,9-10-20-11-13-23-14-12-20)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3,(H,21,22)
InChIKey
KIFLWUVRWAPWJO-UHFFFAOYSA-N
Compound name
2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.1678 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 174.7
[M+Na]+ 336.157018 178.1
[M-H]- 312.160524 178.6
[M+NH4]+ 331.201623 186.0
[M+K]+ 352.130958 175.1
[M+H-H2O]+ 296.165060 165.9
[M+HCOO]- 358.166001 187.2
[M+CH3COO]- 372.181651 203.7
[M+Na-2H]- 334.142466 179.5
[M]+ 313.16725142 172.0
[M]- 313.16834858 172.0
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.