CID 52032

73664-13-8

Structural Information

Molecular Formula
C21H28NO2
SMILES
CC1(COC(OC1)(C2=CC=CC=C2)C3=CC=CC=C3)C[N+](C)(C)C
InChI
InChI=1S/C21H28NO2/c1-20(15-22(2,3)4)16-23-21(24-17-20,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,15-17H2,1-4H3/q+1
InChIKey
MQIAKLPIDVUINV-UHFFFAOYSA-N
Compound name
trimethyl-[(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21928 179.2
[M+Na]+ 349.20122 183.8
[M-H]- 325.20472 190.8
[M+NH4]+ 344.24582 194.1
[M+K]+ 365.17516 177.9
[M+H-H2O]+ 309.20926 173.0
[M+HCOO]- 371.21020 197.2
[M+CH3COO]- 385.22585 205.8
[M+Na-2H]- 347.18667 189.6
[M]+ 326.21145 177.9
[M]- 326.21255 177.9
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.