CID 57602

100001-06-7

Structural Information

Molecular Formula
C20H28NO
SMILES
CC[N+](C)(CC)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C20H28NO/c1-4-21(3,5-2)17-16-20(22,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,22H,4-5,16-17H2,1-3H3/q+1
InChIKey
BTFRKVHIUJFAJZ-UHFFFAOYSA-N
Compound name
diethyl-(3-hydroxy-3,3-diphenylpropyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2171 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22438 174.0
[M+Na]+ 321.20632 177.7
[M-H]- 297.20982 179.9
[M+NH4]+ 316.25092 188.5
[M+K]+ 337.18026 168.0
[M+H-H2O]+ 281.21436 169.0
[M+HCOO]- 343.21530 193.8
[M+CH3COO]- 357.23095 201.2
[M+Na-2H]- 319.19177 183.1
[M]+ 298.21655 173.2
[M]- 298.21765 173.2
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

No patent data available for this compound.