CID 23025

1-naphthaleneacetic acid, alpha-isopropyl-alpha-(3-morpholinopropyl)-, hydrochloride

Structural Information

Molecular Formula
C22H29NO3
SMILES
CC(C)C(CCCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C22H29NO3/c1-17(2)22(21(24)25,11-6-12-23-13-15-26-16-14-23)20-10-5-8-18-7-3-4-9-19(18)20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,24,25)
InChIKey
YWGBWNSGRRIPCT-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 188.0
[M+Na]+ 378.20397 189.7
[M-H]- 354.20747 191.3
[M+NH4]+ 373.24857 197.4
[M+K]+ 394.17791 186.6
[M+H-H2O]+ 338.21201 178.8
[M+HCOO]- 400.21295 198.4
[M+CH3COO]- 414.22860 213.5
[M+Na-2H]- 376.18942 190.1
[M]+ 355.21420 185.6
[M]- 355.21530 185.6
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.