CID 10851563

1-[(3,3-diphenylpropyl)methylamino]-2-methyl-2-propanol

Structural Information

Molecular Formula
C20H27NO
SMILES
CC(C)(CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
InChIKey
MQWDISMNBYOLAB-UHFFFAOYSA-N
Compound name
1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

297.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.8
[M+Na]+ 320.19848 177.7
[M-H]- 296.20198 180.3
[M+NH4]+ 315.24308 189.1
[M+K]+ 336.17242 174.3
[M+H-H2O]+ 280.20652 166.5
[M+HCOO]- 342.20746 194.7
[M+CH3COO]- 356.22311 209.0
[M+Na-2H]- 318.18393 178.2
[M]+ 297.20871 174.9
[M]- 297.20981 174.9
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