CID 23186

6733-68-2

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C)C(CCCN1CCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C22H29NO2/c1-17(2)22(21(24)25,13-8-16-23-14-5-6-15-23)20-12-7-10-18-9-3-4-11-19(18)20/h3-4,7,9-12,17H,5-6,8,13-16H2,1-2H3,(H,24,25)
InChIKey
KUTQZLYSUQZHQI-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 186.4
[M+Na]+ 362.209038 189.0
[M-H]- 338.212544 189.7
[M+NH4]+ 357.253643 199.9
[M+K]+ 378.182978 184.2
[M+H-H2O]+ 322.217080 178.3
[M+HCOO]- 384.218021 199.8
[M+CH3COO]- 398.233671 210.6
[M+Na-2H]- 360.194486 185.9
[M]+ 339.21927142 184.3
[M]- 339.22036858 184.3
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.