CID 215902

36783-36-5

Structural Information

Molecular Formula
C21H33N3O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=CC(=N2)C)OC
InChI
InChI=1S/C21H33N3O2/c1-7-24(8-2)13-9-10-15(3)22-18-14-19(25-5)20-17(21(18)26-6)12-11-16(4)23-20/h11-12,14-15,22H,7-10,13H2,1-6H3
InChIKey
BVZKGKZHIUQDIN-UHFFFAOYSA-N
Compound name
4-N-(5,8-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.25726 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.264536 192.7
[M+Na]+ 382.246478 197.7
[M-H]- 358.249984 196.5
[M+NH4]+ 377.291083 205.7
[M+K]+ 398.220418 195.2
[M+H-H2O]+ 342.254520 183.3
[M+HCOO]- 404.255461 213.5
[M+CH3COO]- 418.271111 230.3
[M+Na-2H]- 380.231926 193.7
[M]+ 359.25671142 199.6
[M]- 359.25780858 199.6
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.