CID 432306

Nsc 305843

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CCN(CC)CCCCCCNC1=CC(=C(C2=C(C=CN=C12)C)OC)OC
InChI
InChI=1S/C22H35N3O2/c1-6-25(7-2)15-11-9-8-10-13-23-18-16-19(26-4)22(27-5)20-17(3)12-14-24-21(18)20/h12,14,16,23H,6-11,13,15H2,1-5H3
InChIKey
PUUDDXNBQOVAMX-UHFFFAOYSA-N
Compound name
N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.27292 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.28020 196.7
[M+Na]+ 396.26214 201.6
[M-H]- 372.26564 200.2
[M+NH4]+ 391.30674 209.3
[M+K]+ 412.23608 198.3
[M+H-H2O]+ 356.27018 186.9
[M+HCOO]- 418.27112 218.2
[M+CH3COO]- 432.28677 232.3
[M+Na-2H]- 394.24759 198.4
[M]+ 373.27237 204.6
[M]- 373.27347 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.