CID 115437

63977-68-4

Structural Information

Molecular Formula
C22H26N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O/c1-2-21(25)24-19-13-14-20(24)16-23(15-19)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20,22H,2,13-16H2,1H3
InChIKey
SHAYUWBGXZREDN-UHFFFAOYSA-N
Compound name
1-(3-benzhydryl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.211776 183.4
[M+Na]+ 357.193718 186.6
[M-H]- 333.197224 188.3
[M+NH4]+ 352.238323 196.7
[M+K]+ 373.167658 181.0
[M+H-H2O]+ 317.201760 173.0
[M+HCOO]- 379.202701 196.5
[M+CH3COO]- 393.218351 191.5
[M+Na-2H]- 355.179166 182.6
[M]+ 334.20395142 179.3
[M]- 334.20504858 179.3
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.