CID 3070951

N,n-dimethyl-2-(3,4-dihydroxyphenyl)-1-(4-tolyl)ethylamine hydrobromide

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)N(C)C
InChI
InChI=1S/C17H21NO2/c1-12-4-7-14(8-5-12)15(18(2)3)10-13-6-9-16(19)17(20)11-13/h4-9,11,15,19-20H,10H2,1-3H3
InChIKey
KQZWXESQEXPKHU-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.4
[M+Na]+ 294.14645 170.5
[M-H]- 270.14995 170.1
[M+NH4]+ 289.19105 179.9
[M+K]+ 310.12039 167.3
[M+H-H2O]+ 254.15449 156.9
[M+HCOO]- 316.15543 185.7
[M+CH3COO]- 330.17108 202.8
[M+Na-2H]- 292.13190 166.2
[M]+ 271.15668 164.8
[M]- 271.15778 164.8
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

patents stripe