CID 3041931

58868-56-7

Structural Information

Molecular Formula
C23H37N3O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C(=C(C(=N2)C)C)C)OC
InChI
InChI=1S/C23H37N3O2/c1-9-26(10-2)13-11-12-15(3)24-19-14-20(27-7)22-21(23(19)28-8)17(5)16(4)18(6)25-22/h14-15,24H,9-13H2,1-8H3
InChIKey
PBSXNLMAZWQBGY-UHFFFAOYSA-N
Compound name
4-N-(5,8-dimethoxy-2,3,4-trimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.28857 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.29585 202.0
[M+Na]+ 410.27779 208.0
[M-H]- 386.28129 206.2
[M+NH4]+ 405.32239 214.5
[M+K]+ 426.25173 205.3
[M+H-H2O]+ 370.28583 192.8
[M+HCOO]- 432.28677 222.0
[M+CH3COO]- 446.30242 238.7
[M+Na-2H]- 408.26324 200.5
[M]+ 387.28802 210.4
[M]- 387.28912 210.4
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.