CID 91885418

Transpdma

Structural Information

Molecular Formula
C24H25NO2
SMILES
CN(C)C1=CC=C(C=C1)C2O[C@H](C[C@@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H25NO2/c1-25(2)21-15-13-20(14-16-21)24-26-22(18-9-5-3-6-10-18)17-23(27-24)19-11-7-4-8-12-19/h3-16,22-24H,17H2,1-2H3/t22-,23-/m1/s1
InChIKey
SJRMPIVJJKXQPC-DHIUTWEWSA-N
Compound name
4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

359.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 190.5
[M+Na]+ 382.17776 194.5
[M-H]- 358.18126 204.5
[M+NH4]+ 377.22236 199.5
[M+K]+ 398.15170 192.4
[M+H-H2O]+ 342.18580 179.2
[M+HCOO]- 404.18674 209.4
[M+CH3COO]- 418.20239 200.2
[M+Na-2H]- 380.16321 193.3
[M]+ 359.18799 188.8
[M]- 359.18909 188.8
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

No patent data available for this compound.