CID 3069064

Brn 5984143

Structural Information

Molecular Formula
C21H32ClN3O
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C(=CC(=N2)C)C)Cl
InChI
InChI=1S/C21H32ClN3O/c1-7-25(8-2)11-9-10-15(4)23-18-13-17(22)20-19(21(18)26-6)14(3)12-16(5)24-20/h12-13,15,23H,7-11H2,1-6H3
InChIKey
IXVRIUSIPIPNSX-UHFFFAOYSA-N
Compound name
4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2234 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.23068 196.5
[M+Na]+ 400.21262 203.4
[M-H]- 376.21612 200.4
[M+NH4]+ 395.25722 210.1
[M+K]+ 416.18656 198.5
[M+H-H2O]+ 360.22066 188.3
[M+HCOO]- 422.22160 212.5
[M+CH3COO]- 436.23725 232.9
[M+Na-2H]- 398.19807 196.1
[M]+ 377.22285 204.6
[M]- 377.22395 204.6
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.