CID 23783

7347-88-8

Structural Information

Molecular Formula
C22H32NO
SMILES
CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+](C)(C)C(C)(C)C
InChI
InChI=1S/C22H32NO/c1-18(23(5,6)22(2,3)4)17-24-21-15-11-10-14-20(21)16-19-12-8-7-9-13-19/h7-15,18H,16-17H2,1-6H3/q+1
InChIKey
CAJNZTXIYPRLED-UHFFFAOYSA-N
Compound name
1-(2-benzylphenoxy)propan-2-yl-tert-butyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.24838 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25566 182.3
[M+Na]+ 349.23760 186.3
[M-H]- 325.24110 189.7
[M+NH4]+ 344.28220 196.7
[M+K]+ 365.21154 177.7
[M+H-H2O]+ 309.24564 177.0
[M+HCOO]- 371.24658 202.0
[M+CH3COO]- 385.26223 210.9
[M+Na-2H]- 347.22305 189.0
[M]+ 326.24783 183.7
[M]- 326.24893 183.7
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.