CID 27207

Buzepide metiodide

Structural Information

Molecular Formula
C23H31N2O
SMILES
C[N+]1(CCCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C23H30N2O/c1-25(17-10-2-3-11-18-25)19-16-23(22(24)26,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15H,2-3,10-11,16-19H2,1H3,(H-,24,26)/p+1
InChIKey
HDGFUOKLIQJQCS-UHFFFAOYSA-O
Compound name
4-(1-methylazepan-1-ium-1-yl)-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

55
Patents

351.24365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.25093 189.9
[M+Na]+ 374.23287 189.9
[M-H]- 350.23637 196.8
[M+NH4]+ 369.27747 200.7
[M+K]+ 390.20681 183.7
[M+H-H2O]+ 334.24091 183.2
[M+HCOO]- 396.24185 204.1
[M+CH3COO]- 410.25750 208.0
[M+Na-2H]- 372.21832 194.1
[M]+ 351.24310 179.5
[M]- 351.24420 179.5
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