CID 21558

N-(6-methoxyquinolin-8-yl)-n'-propan-2-ylpentane-1,5-diamine

Structural Information

Molecular Formula
C18H27N3O
SMILES
CC(C)NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3
InChIKey
VKXQZROIIKPELG-UHFFFAOYSA-N
Compound name
N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

267
Patents

301.21542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 174.5
[M+Na]+ 324.20464 179.1
[M-H]- 300.20814 176.7
[M+NH4]+ 319.24924 188.9
[M+K]+ 340.17858 175.1
[M+H-H2O]+ 284.21268 165.6
[M+HCOO]- 346.21362 195.8
[M+CH3COO]- 360.22927 213.5
[M+Na-2H]- 322.19009 179.4
[M]+ 301.21487 177.0
[M]- 301.21597 177.0
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