CID 199382

1-propanol, 1,1-diphenyl-2-methyl-3-(methyl(alpha-methylphenethyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C26H31NO
SMILES
CC(CC1=CC=CC=C1)N(C)CC(C)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C26H31NO/c1-21(20-27(3)22(2)19-23-13-7-4-8-14-23)26(28,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,21-22,28H,19-20H2,1-3H3
InChIKey
OWFKVKSLYJIHPN-UHFFFAOYSA-N
Compound name
2-methyl-3-[methyl(1-phenylpropan-2-yl)amino]-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.24057 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24785 194.6
[M+Na]+ 396.22979 195.6
[M-H]- 372.23329 202.4
[M+NH4]+ 391.27439 204.9
[M+K]+ 412.20373 191.0
[M+H-H2O]+ 356.23783 184.5
[M+HCOO]- 418.23877 212.6
[M+CH3COO]- 432.25442 223.4
[M+Na-2H]- 394.21524 196.3
[M]+ 373.24002 193.3
[M]- 373.24112 193.3
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.