CID 3061130

78703-86-3

Structural Information

Molecular Formula
C18H27ClN4
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)N
InChI
InChI=1S/C18H27ClN4/c1-4-23(5-2)10-6-7-13(3)22-17-8-9-21-18-12-15(19)16(20)11-14(17)18/h8-9,11-13H,4-7,10,20H2,1-3H3,(H,21,22)
InChIKey
HBYHKQSUGYAUKZ-UHFFFAOYSA-N
Compound name
7-chloro-4-N-[5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1924 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19968 183.7
[M+Na]+ 357.18162 189.4
[M-H]- 333.18512 186.9
[M+NH4]+ 352.22622 198.0
[M+K]+ 373.15556 184.2
[M+H-H2O]+ 317.18966 175.5
[M+HCOO]- 379.19060 201.1
[M+CH3COO]- 393.20625 224.0
[M+Na-2H]- 355.16707 185.8
[M]+ 334.19185 186.9
[M]- 334.19295 186.9
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.