CID 245068

Nsc56612

Structural Information

Molecular Formula
C19H29N3O
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC
InChI
InChI=1S/C19H29N3O/c1-5-22(6-2)13-7-8-15(3)21-18-11-12-20-19-14-16(23-4)9-10-17(18)19/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,21)
InChIKey
UPZNYIXLPMJBBS-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(7-methoxyquinolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

315.23105 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.23833 180.0
[M+Na]+ 338.22027 184.3
[M-H]- 314.22377 183.4
[M+NH4]+ 333.26487 194.4
[M+K]+ 354.19421 181.4
[M+H-H2O]+ 298.22831 170.7
[M+HCOO]- 360.22925 201.4
[M+CH3COO]- 374.24490 219.8
[M+Na-2H]- 336.20572 183.5
[M]+ 315.23050 184.0
[M]- 315.23160 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe