CID 72573

Nsc 56639

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCC(CC)NCCNC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C17H25N3O/c1-4-14(5-2)18-9-10-19-16-12-15(21-3)11-13-7-6-8-20-17(13)16/h6-8,11-12,14,18-19H,4-5,9-10H2,1-3H3
InChIKey
WZSVEOXWOQADMM-UHFFFAOYSA-N
Compound name
N-(6-methoxyquinolin-8-yl)-N'-pentan-3-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.19977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 170.5
[M+Na]+ 310.18899 181.9
[M+NH4]+ 305.23359 178.1
[M+K]+ 326.16293 174.1
[M-H]- 286.19249 173.8
[M+Na-2H]- 308.17444 176.3
[M]+ 287.19922 172.9
[M]- 287.20032 172.9
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.