CID 59087869

Quensyl-1-acetate

Structural Information

Molecular Formula
C20H28ClN3O2
SMILES
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCOC(=O)C
InChI
InChI=1S/C20H28ClN3O2/c1-4-24(12-13-26-16(3)25)11-5-6-15(2)23-19-9-10-22-20-14-17(21)7-8-18(19)20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,22,23)
InChIKey
YEVQTWFAUWKTAU-UHFFFAOYSA-N
Compound name
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.187 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19428 192.7
[M+Na]+ 400.17622 197.3
[M-H]- 376.17972 196.0
[M+NH4]+ 395.22082 205.3
[M+K]+ 416.15016 193.1
[M+H-H2O]+ 360.18426 184.1
[M+HCOO]- 422.18520 208.8
[M+CH3COO]- 436.20085 227.7
[M+Na-2H]- 398.16167 194.2
[M]+ 377.18645 199.5
[M]- 377.18755 199.5
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

patents stripe