CID 16092093

Bertosamil

Structural Information

Molecular Formula
C19H36N2
SMILES
CC(C)CN1C[C@H]2CN(C[C@H](C1)C23CCCCC3)C(C)C
InChI
InChI=1S/C19H36N2/c1-15(2)10-20-11-17-13-21(16(3)4)14-18(12-20)19(17)8-6-5-7-9-19/h15-18H,5-14H2,1-4H3/t17-,18-/m0/s1
InChIKey
AOIVZQPSIHOHMP-ROUUACIJSA-N
Compound name
(1S,5S)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

23
Patents

292.28784 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.295116 179.2
[M+Na]+ 315.277058 179.6
[M-H]- 291.280564 179.2
[M+NH4]+ 310.321663 194.9
[M+K]+ 331.250998 176.2
[M+H-H2O]+ 275.285100 169.8
[M+HCOO]- 337.286041 185.1
[M+CH3COO]- 351.301691 207.8
[M+Na-2H]- 313.262506 177.3
[M]+ 292.28729142 170.3
[M]- 292.28838858 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe