CID 115446

63978-01-8

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CN1C2CCC1CN(C2)CCOC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O2/c1-24-20-12-13-21(24)17-25(16-20)14-15-27-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3
InChIKey
NDSWVTKMCVPUFP-UHFFFAOYSA-N
Compound name
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 190.7
[M+Na]+ 387.20432 193.2
[M-H]- 363.20782 195.4
[M+NH4]+ 382.24892 202.6
[M+K]+ 403.17826 188.1
[M+H-H2O]+ 347.21236 180.0
[M+HCOO]- 409.21330 203.7
[M+CH3COO]- 423.22895 198.2
[M+Na-2H]- 385.18977 189.5
[M]+ 364.21455 188.3
[M]- 364.21565 188.3
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.