CID 224642

Nsc13314

Structural Information

Molecular Formula
C19H29N3O2
SMILES
CC(C)NCCCC(C)NC1=CC(=C(C2=C1N=CC=C2)OC)OC
InChI
InChI=1S/C19H29N3O2/c1-13(2)20-10-6-8-14(3)22-16-12-17(23-4)19(24-5)15-9-7-11-21-18(15)16/h7,9,11-14,20,22H,6,8,10H2,1-5H3
InChIKey
KSJAKLHPKINFJD-UHFFFAOYSA-N
Compound name
4-N-(5,6-dimethoxyquinolin-8-yl)-1-N-propan-2-ylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

331.22598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23326 183.1
[M+Na]+ 354.21520 187.8
[M-H]- 330.21870 185.6
[M+NH4]+ 349.25980 196.4
[M+K]+ 370.18914 184.8
[M+H-H2O]+ 314.22324 174.2
[M+HCOO]- 376.22418 203.2
[M+CH3COO]- 390.23983 220.7
[M+Na-2H]- 352.20065 185.5
[M]+ 331.22543 187.1
[M]- 331.22653 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.