CID 3057245

73987-41-4

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCN(CC)CCNC1=CC2=C(C=CC=N2)C(=C1)OC
InChI
InChI=1S/C16H23N3O/c1-4-19(5-2)10-9-17-13-11-15-14(7-6-8-18-15)16(12-13)20-3/h6-8,11-12,17H,4-5,9-10H2,1-3H3
InChIKey
FJNLXISUFAYTOD-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(5-methoxyquinolin-7-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 165.5
[M+Na]+ 296.17332 171.5
[M-H]- 272.17682 169.5
[M+NH4]+ 291.21792 181.8
[M+K]+ 312.14726 168.8
[M+H-H2O]+ 256.18136 156.7
[M+HCOO]- 318.18230 189.1
[M+CH3COO]- 332.19795 210.0
[M+Na-2H]- 294.15877 171.9
[M]+ 273.18355 169.2
[M]- 273.18465 169.2
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.