CID 188220

32862-59-2

Structural Information

Molecular Formula
C22H35N3O3
SMILES
CCN(CC)CCCC(C)NC1=C(C2=C(C=C(N=C2C(=C1)OC)C)OC)OC
InChI
InChI=1S/C22H35N3O3/c1-8-25(9-2)12-10-11-15(3)23-17-14-19(27-6)21-20(22(17)28-7)18(26-5)13-16(4)24-21/h13-15,23H,8-12H2,1-7H3
InChIKey
KIQWWLHFEKTYBR-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(4,5,8-trimethoxy-2-methylquinolin-6-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.26785 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.27513 200.2
[M+Na]+ 412.25707 205.5
[M-H]- 388.26057 204.1
[M+NH4]+ 407.30167 212.2
[M+K]+ 428.23101 203.6
[M+H-H2O]+ 372.26511 190.6
[M+HCOO]- 434.26605 220.8
[M+CH3COO]- 448.28170 236.6
[M+Na-2H]- 410.24252 200.1
[M]+ 389.26730 209.2
[M]- 389.26840 209.2
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.