CID 22896

1-naphthaleneacetic acid, alpha,alpha-bis(2-(dimethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CN(C)CCC(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C20H28N2O2/c1-21(2)14-12-20(19(23)24,13-15-22(3)4)18-11-7-9-16-8-5-6-10-17(16)18/h5-11H,12-15H2,1-4H3,(H,23,24)
InChIKey
JZZSUYMWFSGLQX-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2151 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 181.1
[M+Na]+ 351.20432 190.8
[M+NH4]+ 346.24892 188.1
[M+K]+ 367.17826 184.9
[M-H]- 327.20782 183.8
[M+Na-2H]- 349.18977 186.2
[M]+ 328.21455 183.1
[M]- 328.21565 183.1
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.