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]+ 299.17540 169.6
[M+Na]+ 321.15734 174.2
[M-H]- 297.16084 171.0
[M+NH4]+ 316.20194 181.9
[M+K]+ 337.13128 167.5
[M+H-H2O]+ 281.16538 161.2
[M+HCOO]- 343.16632 185.0
[M+CH3COO]- 357.18197 178.1
[M+Na-2H]- 319.14279 173.9
[M]+ 298.16757 164.3
[M]- 298.16867 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.