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]+ 329.222376 181.8
[M+Na]+ 351.204318 185.0
[M-H]- 327.207824 186.5
[M+NH4]+ 346.248923 196.6
[M+K]+ 367.178258 183.3
[M+H-H2O]+ 311.212360 173.9
[M+HCOO]- 373.213301 202.0
[M+CH3COO]- 387.228951 221.5
[M+Na-2H]- 349.189766 185.1
[M]+ 328.21455142 184.9
[M]- 328.21564858 184.9
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

No patent data available for this compound.