CID 201584

6285-17-2

Structural Information

Molecular Formula
C16H23N3
SMILES
CCN(CC)CCNC1=C(C=CC2=C1N=CC=C2)C
InChI
InChI=1S/C16H23N3/c1-4-19(5-2)12-11-18-15-13(3)8-9-14-7-6-10-17-16(14)15/h6-10,18H,4-5,11-12H2,1-3H3
InChIKey
MYGPIACZULWABM-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(7-methylquinolin-8-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 162.4
[M+Na]+ 280.178418 168.5
[M-H]- 256.181924 166.5
[M+NH4]+ 275.223023 179.4
[M+K]+ 296.152358 165.2
[M+H-H2O]+ 240.186460 153.9
[M+HCOO]- 302.187401 185.8
[M+CH3COO]- 316.203051 207.9
[M+Na-2H]- 278.163866 168.8
[M]+ 257.18865142 164.7
[M]- 257.18974858 164.7
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.