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 164.4
[M+Na]+ 265.13112 173.4
[M-H]- 241.13462 166.0
[M+NH4]+ 260.17572 184.2
[M+K]+ 281.10506 166.4
[M+H-H2O]+ 225.13916 161.2
[M+HCOO]- 287.14010 172.0
[M+CH3COO]- 301.15575 172.9
[M+Na-2H]- 263.11657 174.4
[M]+ 242.14135 162.9
[M]- 242.14245 162.9
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.