CID 199511

4320-42-7

Structural Information

Molecular Formula
C17H21NO
SMILES
CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3
InChIKey
MUMQBHMGYFNLPO-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

255.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.0
[M+Na]+ 278.15153 165.6
[M-H]- 254.15503 167.1
[M+NH4]+ 273.19613 177.2
[M+K]+ 294.12547 162.4
[M+H-H2O]+ 238.15957 153.3
[M+HCOO]- 300.16051 183.0
[M+CH3COO]- 314.17616 199.2
[M+Na-2H]- 276.13698 167.3
[M]+ 255.16176 160.7
[M]- 255.16286 160.7
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.