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

0
Patents

356.24637 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 191.1
[M+Na]+ 379.23559 193.4
[M-H]- 355.23909 195.4
[M+NH4]+ 374.28019 204.7
[M+K]+ 395.20953 191.3
[M+H-H2O]+ 339.24363 182.8
[M+HCOO]- 401.24457 210.6
[M+CH3COO]- 415.26022 227.4
[M+Na-2H]- 377.22104 193.4
[M]+ 356.24582 194.9
[M]- 356.24692 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