CID 3060410

1,1-diphenyl-2-methyl-3-(n-benzyl-n-ethylamino)propanol hydrochloride

Structural Information

Molecular Formula
C25H29NO
SMILES
CCN(CC1=CC=CC=C1)CC(C)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C25H29NO/c1-3-26(20-22-13-7-4-8-14-22)19-21(2)25(27,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,27H,3,19-20H2,1-2H3
InChIKey
LQADNDKWHJPBKA-UHFFFAOYSA-N
Compound name
3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23218 190.5
[M+Na]+ 382.21412 192.3
[M-H]- 358.21762 198.5
[M+NH4]+ 377.25872 201.5
[M+K]+ 398.18806 187.3
[M+H-H2O]+ 342.22216 180.5
[M+HCOO]- 404.22310 209.9
[M+CH3COO]- 418.23875 219.7
[M+Na-2H]- 380.19957 193.9
[M]+ 359.22435 189.5
[M]- 359.22545 189.5
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.