CID 456586

N4-(6-methoxy-4-methyl-quinolin-8-yl)-pentane-1,4-diamine

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCN)OC
InChI
InChI=1S/C16H23N3O/c1-11-6-8-18-16-14(11)9-13(20-3)10-15(16)19-12(2)5-4-7-17/h6,8-10,12,19H,4-5,7,17H2,1-3H3
InChIKey
QISCTRCBADUWSD-UHFFFAOYSA-N
Compound name
4-N-(6-methoxy-4-methylquinolin-8-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

19
Patents

273.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.5
[M+Na]+ 296.17332 173.1
[M-H]- 272.17682 169.0
[M+NH4]+ 291.21792 182.2
[M+K]+ 312.14726 169.2
[M+H-H2O]+ 256.18136 158.4
[M+HCOO]- 318.18230 187.9
[M+CH3COO]- 332.19795 208.1
[M+Na-2H]- 294.15877 170.7
[M]+ 273.18355 167.7
[M]- 273.18465 167.7
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