CID 202908

1,1-diphenyl-2-methyl-3-(butylamino)propanol maleate

Structural Information

Molecular Formula
C20H27NO
SMILES
CCCCNCC(C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO/c1-3-4-15-21-16-17(2)20(22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21-22H,3-4,15-16H2,1-2H3
InChIKey
DTKIDTWZOXMKNZ-UHFFFAOYSA-N
Compound name
3-(butylamino)-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.7
[M+Na]+ 320.19848 177.5
[M-H]- 296.20198 178.7
[M+NH4]+ 315.24308 188.4
[M+K]+ 336.17242 172.7
[M+H-H2O]+ 280.20652 166.7
[M+HCOO]- 342.20746 194.2
[M+CH3COO]- 356.22311 205.6
[M+Na-2H]- 318.18393 179.0
[M]+ 297.20871 173.6
[M]- 297.20981 173.6
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

patents stripe