CID 31524

1-azaspiro(4,5)decane-1-propanol, beta-methyl-alpha,alpha-diphenyl-, hydrobromide

Structural Information

Molecular Formula
C25H33NO
SMILES
CC(CN1CCCC12CCCCC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H33NO/c1-21(20-26-19-11-18-24(26)16-9-4-10-17-24)25(27,22-12-5-2-6-13-22)23-14-7-3-8-15-23/h2-3,5-8,12-15,21,27H,4,9-11,16-20H2,1H3
InChIKey
NYZOTKSNZDJSAO-UHFFFAOYSA-N
Compound name
3-(1-azaspiro[4.5]decan-1-yl)-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.25623 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.26351 193.5
[M+Na]+ 386.24545 193.9
[M-H]- 362.24895 200.1
[M+NH4]+ 381.29005 206.3
[M+K]+ 402.21939 187.9
[M+H-H2O]+ 346.25349 183.3
[M+HCOO]- 408.25443 205.0
[M+CH3COO]- 422.27008 200.2
[M+Na-2H]- 384.23090 193.0
[M]+ 363.25568 184.5
[M]- 363.25678 184.5
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.