CID 113711

Dtxsid70979956

Structural Information

Molecular Formula
C19H33N3O
SMILES
CCN(CC)CCCC(C)NC1=C2C(=C(C=C1)OC)CCCN2
InChI
InChI=1S/C19H33N3O/c1-5-22(6-2)14-8-9-15(3)21-17-11-12-18(23-4)16-10-7-13-20-19(16)17/h11-12,15,20-21H,5-10,13-14H2,1-4H3
InChIKey
ZQYXYOJEQHJOEI-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.26236 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.269636 181.9
[M+Na]+ 342.251578 183.7
[M-H]- 318.255084 183.1
[M+NH4]+ 337.296183 195.2
[M+K]+ 358.225518 180.5
[M+H-H2O]+ 302.259620 173.0
[M+HCOO]- 364.260561 198.9
[M+CH3COO]- 378.276211 218.1
[M+Na-2H]- 340.237026 183.0
[M]+ 319.26181142 181.2
[M]- 319.26290858 181.2
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.