CID 8645

Amprotropine phosphate

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCN(CC)CC(C)(C)COC(=O)C(CO)C1=CC=CC=C1
InChI
InChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3
InChIKey
ORXLOAFNULMXBG-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

140
Patents

307.21475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 176.8
[M+Na]+ 330.20397 184.9
[M+NH4]+ 325.24857 182.4
[M+K]+ 346.17791 180.3
[M-H]- 306.20747 177.0
[M+Na-2H]- 328.18942 180.3
[M]+ 307.21420 177.7
[M]- 307.21530 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe