CID 113782

Brn 0398304

Structural Information

Molecular Formula
C19H39N3O
SMILES
CCN(CC)CCCC(C)NCC1C(C2CCN1CC2)CCO
InChI
InChI=1S/C19H39N3O/c1-4-21(5-2)11-6-7-16(3)20-15-19-18(10-14-23)17-8-12-22(19)13-9-17/h16-20,23H,4-15H2,1-3H3
InChIKey
GQKINSNJXWWLPV-UHFFFAOYSA-N
Compound name
2-[2-[[5-(diethylamino)pentan-2-ylamino]methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.30933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.31661 186.9
[M+Na]+ 348.29855 185.0
[M-H]- 324.30205 179.8
[M+NH4]+ 343.34315 203.4
[M+K]+ 364.27249 182.7
[M+H-H2O]+ 308.30659 180.0
[M+HCOO]- 370.30753 194.1
[M+CH3COO]- 384.32318 224.2
[M+Na-2H]- 346.28400 190.7
[M]+ 325.30878 188.8
[M]- 325.30988 188.8
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

patents stripe