CID 214329

2-(2-diethylaminoethylamino)-1-propanol benzoate hydrochloride

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCN(CC)CCNC(C)COC(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H26N2O2/c1-4-18(5-2)12-11-17-14(3)13-20-16(19)15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3
InChIKey
WHCRYLLIWHEWTC-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylamino]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 170.9
[M+Na]+ 301.18865 173.4
[M-H]- 277.19215 174.6
[M+NH4]+ 296.23325 186.6
[M+K]+ 317.16259 172.5
[M+H-H2O]+ 261.19669 162.6
[M+HCOO]- 323.19763 194.3
[M+CH3COO]- 337.21328 209.9
[M+Na-2H]- 299.17410 172.5
[M]+ 278.19888 173.8
[M]- 278.19998 173.8
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.