CID 113711

63680-70-6

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]+ 320.26964 181.9
[M+Na]+ 342.25158 183.7
[M-H]- 318.25508 183.1
[M+NH4]+ 337.29618 195.2
[M+K]+ 358.22552 180.5
[M+H-H2O]+ 302.25962 173.0
[M+HCOO]- 364.26056 198.9
[M+CH3COO]- 378.27621 218.1
[M+Na-2H]- 340.23703 183.0
[M]+ 319.26181 181.2
[M]- 319.26291 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.