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]+ 270.185256 165.4
[M+Na]+ 292.167198 170.5
[M-H]- 268.170704 171.7
[M+NH4]+ 287.211803 181.3
[M+K]+ 308.141138 167.1
[M+H-H2O]+ 252.175240 157.7
[M+HCOO]- 314.176181 187.1
[M+CH3COO]- 328.191831 203.3
[M+Na-2H]- 290.152646 170.5
[M]+ 269.17743142 165.9
[M]- 269.17852858 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.