CID 10520

Benzomethamine bromide

Structural Information

Molecular Formula
C22H31N2O2
SMILES
CC[N+](C)(CC)CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C22H31N2O2/c1-5-24(4,6-2)18-17-23(3)21(25)22(26,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,26H,5-6,17-18H2,1-4H3/q+1
InChIKey
XCEPXSCPQIRLCL-UHFFFAOYSA-N
Compound name
diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

31
Patents

355.23856 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.24584 187.5
[M+Na]+ 378.22778 189.4
[M-H]- 354.23128 194.4
[M+NH4]+ 373.27238 199.7
[M+K]+ 394.20172 181.4
[M+H-H2O]+ 338.23582 181.6
[M+HCOO]- 400.23676 207.6
[M+CH3COO]- 414.25241 216.2
[M+Na-2H]- 376.21323 194.5
[M]+ 355.23801 187.8
[M]- 355.23911 187.8
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