CID 459712

N-[2-(2-diethylaminoethylsulfanyl)ethyl]quinolin-2-amine

Structural Information

Molecular Formula
C17H25N3S
SMILES
CCN(CC)CCSCCNC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C17H25N3S/c1-3-20(4-2)12-14-21-13-11-18-17-10-9-15-7-5-6-8-16(15)19-17/h5-10H,3-4,11-14H2,1-2H3,(H,18,19)
InChIKey
RQBHFVDHYAAWRH-UHFFFAOYSA-N
Compound name
N-[2-[2-(diethylamino)ethylsulfanyl]ethyl]quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1769 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18418 170.5
[M+Na]+ 326.16612 175.4
[M-H]- 302.16962 173.8
[M+NH4]+ 321.21072 185.9
[M+K]+ 342.14006 170.9
[M+H-H2O]+ 286.17416 161.7
[M+HCOO]- 348.17510 188.2
[M+CH3COO]- 362.19075 213.3
[M+Na-2H]- 324.15157 174.6
[M]+ 303.17635 174.9
[M]- 303.17745 174.9
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.