CID 22900

1-naphthaleneacetic acid, alpha,alpha-bis(3-(dimethylamino)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CN(C)CCCC(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C22H32N2O2/c1-23(2)16-8-14-22(21(25)26,15-9-17-24(3)4)20-13-7-11-18-10-5-6-12-19(18)20/h5-7,10-13H,8-9,14-17H2,1-4H3,(H,25,26)
InChIKey
DHGXULRGANVCJC-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.24637 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.253646 191.1
[M+Na]+ 379.235588 193.4
[M-H]- 355.239094 195.4
[M+NH4]+ 374.280193 204.7
[M+K]+ 395.209528 191.3
[M+H-H2O]+ 339.243630 182.8
[M+HCOO]- 401.244571 210.6
[M+CH3COO]- 415.260221 227.4
[M+Na-2H]- 377.221036 193.4
[M]+ 356.24582142 194.9
[M]- 356.24691858 194.9
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