CID 199418

4150-95-2

Structural Information

Molecular Formula
C18H23NO
SMILES
CC1=CC=CC=C1C(CCN(C)C)(C2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20,13-14-19(2)3)16-10-5-4-6-11-16/h4-12,20H,13-14H2,1-3H3
InChIKey
BMFVGTKWLFSPTM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.4
[M+Na]+ 292.16720 170.5
[M-H]- 268.17070 171.7
[M+NH4]+ 287.21180 181.3
[M+K]+ 308.14114 167.1
[M+H-H2O]+ 252.17524 157.7
[M+HCOO]- 314.17618 187.1
[M+CH3COO]- 328.19183 203.3
[M+Na-2H]- 290.15265 170.5
[M]+ 269.17743 165.9
[M]- 269.17853 165.9
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.