CID 27249

1,3-diazaadamantan-6-ol, 2,5,7-triphenyl-

Structural Information

Molecular Formula
C26H26N2O
SMILES
C1C2(CN3CC(C2O)(CN1C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C26H26N2O/c29-24-25(21-12-6-2-7-13-21)16-27-18-26(24,22-14-8-3-9-15-22)19-28(17-25)23(27)20-10-4-1-5-11-20/h1-15,23-24,29H,16-19H2
InChIKey
ISIGYUHIVFXZRX-UHFFFAOYSA-N
Compound name
2,5,7-triphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21178 187.4
[M+Na]+ 405.19372 189.7
[M-H]- 381.19722 187.6
[M+NH4]+ 400.23832 203.1
[M+K]+ 421.16766 182.1
[M+H-H2O]+ 365.20176 171.3
[M+HCOO]- 427.20270 190.2
[M+CH3COO]- 441.21835 192.4
[M+Na-2H]- 403.17917 196.7
[M]+ 382.20395 184.8
[M]- 382.20505 184.8
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.