CID 10945486

78603-97-1

Structural Information

Molecular Formula
C18H23NO
SMILES
CC(C)C[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
InChI
InChI=1S/C18H23NO/c1-14(2)13-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3/t17-/m0/s1
InChIKey
XECSMDWXBMBRDE-KRWDZBQOSA-N
Compound name
(2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

269.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.1
[M+Na]+ 292.16720 169.5
[M-H]- 268.17070 170.1
[M+NH4]+ 287.21180 180.7
[M+K]+ 308.14114 165.4
[M+H-H2O]+ 252.17524 158.8
[M+HCOO]- 314.17618 184.7
[M+CH3COO]- 328.19183 199.9
[M+Na-2H]- 290.15265 169.2
[M]+ 269.17743 162.7
[M]- 269.17853 162.7
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