CID 57769

4-(2-(diethylamino)ethoxy)-3,5-dipropylbenzoic acid hydrochloride

Structural Information

Molecular Formula
C19H31NO3
SMILES
CCCC1=CC(=CC(=C1OCCN(CC)CC)CCC)C(=O)O
InChI
InChI=1S/C19H31NO3/c1-5-9-15-13-17(19(21)22)14-16(10-6-2)18(15)23-12-11-20(7-3)8-4/h13-14H,5-12H2,1-4H3,(H,21,22)
InChIKey
LBFVWLFSHAAHKV-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethoxy]-3,5-dipropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 181.6
[M+Na]+ 344.21962 186.2
[M-H]- 320.22312 184.5
[M+NH4]+ 339.26422 196.1
[M+K]+ 360.19356 184.0
[M+H-H2O]+ 304.22766 174.0
[M+HCOO]- 366.22860 202.6
[M+CH3COO]- 380.24425 216.7
[M+Na-2H]- 342.20507 180.2
[M]+ 321.22985 187.9
[M]- 321.23095 187.9
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.