CID 20181

I.s. 3225

Structural Information

Molecular Formula
C27H36N2O3
SMILES
COCCCN1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)CCCOC)C4=CC=CC=C4
InChI
InChI=1S/C27H36N2O3/c1-31-17-9-15-28-19-26(23-11-5-3-6-12-23)21-29(16-10-18-32-2)22-27(20-28,25(26)30)24-13-7-4-8-14-24/h3-8,11-14H,9-10,15-22H2,1-2H3
InChIKey
ZBIGGVBHNCOXRI-UHFFFAOYSA-N
Compound name
3,7-bis(3-methoxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.27258 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.27986 211.8
[M+Na]+ 459.26180 215.1
[M-H]- 435.26530 215.8
[M+NH4]+ 454.30640 222.9
[M+K]+ 475.23574 209.5
[M+H-H2O]+ 419.26984 198.6
[M+HCOO]- 481.27078 223.0
[M+CH3COO]- 495.28643 230.1
[M+Na-2H]- 457.24725 214.0
[M]+ 436.27203 211.9
[M]- 436.27313 211.9
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.