CID 137965579

2167963-64-4

Structural Information

Molecular Formula
C16H22N2
SMILES
C1CC23CNCC2(C1)CN(C3)CC4=CC=CC=C4
InChI
InChI=1S/C16H22N2/c1-2-5-14(6-3-1)9-18-12-15-7-4-8-16(15,13-18)11-17-10-15/h1-3,5-6,17H,4,7-13H2
InChIKey
YGZQMQLLYOJBSF-UHFFFAOYSA-N
Compound name
3-benzyl-3,7-diazatricyclo[3.3.3.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 160.0
[M+Na]+ 265.16752 165.4
[M-H]- 241.17102 165.6
[M+NH4]+ 260.21212 183.5
[M+K]+ 281.14146 160.6
[M+H-H2O]+ 225.17556 151.4
[M+HCOO]- 287.17650 177.0
[M+CH3COO]- 301.19215 170.7
[M+Na-2H]- 263.15297 159.9
[M]+ 242.17775 153.2
[M]- 242.17885 153.2
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.