CID 547581

1-phenyl-3,6-diaza-tricyclo(4.3.1.1(3,8))undecan-9-one

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CN2CC3CN1CC(C2)(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C15H18N2O/c18-14-12-8-16-6-7-17(9-12)11-15(14,10-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKey
VIFRQWMULUPNKG-UHFFFAOYSA-N
Compound name
1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 143.6
[M+Na]+ 265.13112 149.9
[M+NH4]+ 260.17572 152.1
[M+K]+ 281.10506 145.8
[M-H]- 241.13462 142.4
[M+Na-2H]- 263.11657 144.2
[M]+ 242.14135 144.3
[M]- 242.14245 144.3
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.