CID 22887

Alpha-(2-(diethylamino)ethyl)-1-naphthaleneacetic acid hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
CCN(CC)CCC(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C18H23NO2/c1-3-19(4-2)13-12-17(18(20)21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,3-4,12-13H2,1-2H3,(H,20,21)
InChIKey
DDSQDSVUNREKOJ-UHFFFAOYSA-N
Compound name
4-(diethylamino)-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.7
[M+Na]+ 308.16210 173.9
[M-H]- 284.16560 173.2
[M+NH4]+ 303.20670 185.8
[M+K]+ 324.13604 171.1
[M+H-H2O]+ 268.17014 162.2
[M+HCOO]- 330.17108 189.6
[M+CH3COO]- 344.18673 207.6
[M+Na-2H]- 306.14755 172.2
[M]+ 285.17233 171.4
[M]- 285.17343 171.4
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