CID 245087

Nsc-56636

Structural Information

Molecular Formula
C18H27N3O
SMILES
CC(C)(C)CNCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C18H27N3O/c1-18(2,3)13-19-8-6-10-20-16-12-15(22-4)11-14-7-5-9-21-17(14)16/h5,7,9,11-12,19-20H,6,8,10,13H2,1-4H3
InChIKey
AMHNREKQEZWOAV-UHFFFAOYSA-N
Compound name
N-(2,2-dimethylpropyl)-N'-(6-methoxyquinolin-8-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 175.5
[M+Na]+ 324.20464 180.9
[M-H]- 300.20814 178.0
[M+NH4]+ 319.24924 190.2
[M+K]+ 340.17858 176.9
[M+H-H2O]+ 284.21268 167.2
[M+HCOO]- 346.21362 196.2
[M+CH3COO]- 360.22927 212.4
[M+Na-2H]- 322.19009 182.3
[M]+ 301.21487 178.0
[M]- 301.21597 178.0
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.