CID 34055

Emepronium

Structural Information

Molecular Formula
C20H28N
SMILES
CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1
InChIKey
JEJBJBKVPOWOQK-UHFFFAOYSA-N
Compound name
4,4-diphenylbutan-2-yl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

129
References

1865
Patents

282.22217 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22945 170.8
[M+Na]+ 305.21139 174.0
[M-H]- 281.21489 177.9
[M+NH4]+ 300.25599 186.5
[M+K]+ 321.18533 165.2
[M+H-H2O]+ 265.21943 165.4
[M+HCOO]- 327.22037 191.5
[M+CH3COO]- 341.23602 203.0
[M+Na-2H]- 303.19684 176.8
[M]+ 282.22162 169.8
[M]- 282.22272 169.8
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