CID 117376

27114-40-5

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CC2=CC=CC=C2NC1CNCCC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C18H22N2O2/c21-17-8-5-13(11-18(17)22)9-10-19-12-15-7-6-14-3-1-2-4-16(14)20-15/h1-5,8,11,15,19-22H,6-7,9-10,12H2
InChIKey
NICLOVHXJDVKIR-UHFFFAOYSA-N
Compound name
4-[2-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 169.6
[M+Na]+ 321.157338 174.2
[M-H]- 297.160844 171.0
[M+NH4]+ 316.201943 181.9
[M+K]+ 337.131278 167.5
[M+H-H2O]+ 281.165380 161.2
[M+HCOO]- 343.166321 185.0
[M+CH3COO]- 357.181971 178.1
[M+Na-2H]- 319.142786 173.9
[M]+ 298.16757142 164.3
[M]- 298.16866858 164.3
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.