CID 28892

Butamirate

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

29
References

727
Patents

307.21475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 179.2
[M+Na]+ 330.203968 181.7
[M-H]- 306.207474 182.6
[M+NH4]+ 325.248573 194.1
[M+K]+ 346.177908 180.9
[M+H-H2O]+ 290.212010 170.9
[M+HCOO]- 352.212951 201.2
[M+CH3COO]- 366.228601 212.8
[M+Na-2H]- 328.189416 179.5
[M]+ 307.21420142 185.2
[M]- 307.21529858 185.2
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