CID 90976

23766-89-4

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CC2=CC=CC=C2NC1CNCCC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-2-6-15(7-3-1)12-13-19-14-17-11-10-16-8-4-5-9-18(16)20-17/h1-9,17,19-20H,10-14H2
InChIKey
SDDCXRABBOAPJP-UHFFFAOYSA-N
Compound name
2-phenyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 162.2
[M+Na]+ 289.16750 166.1
[M-H]- 265.17100 165.5
[M+NH4]+ 284.21210 176.8
[M+K]+ 305.14144 159.6
[M+H-H2O]+ 249.17554 153.1
[M+HCOO]- 311.17648 180.4
[M+CH3COO]- 325.19213 171.7
[M+Na-2H]- 287.15295 168.8
[M]+ 266.17773 156.8
[M]- 266.17883 156.8
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

No patent data available for this compound.