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]+ 335.21178 183.4
[M+Na]+ 357.19372 186.6
[M-H]- 333.19722 188.3
[M+NH4]+ 352.23832 196.7
[M+K]+ 373.16766 181.0
[M+H-H2O]+ 317.20176 173.0
[M+HCOO]- 379.20270 196.5
[M+CH3COO]- 393.21835 191.5
[M+Na-2H]- 355.17917 182.6
[M]+ 334.20395 179.3
[M]- 334.20505 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.