CID 114003

Quinoline, 1,2,3,4-tetrahydro-8-(3-aminopropyl)amino-6-methoxy-, hydrochloride

Structural Information

Molecular Formula
C13H21N3O
SMILES
COC1=C2CCCNC2=C(C=C1)NCCCN
InChI
InChI=1S/C13H21N3O/c1-17-12-6-5-11(15-9-3-7-14)13-10(12)4-2-8-16-13/h5-6,15-16H,2-4,7-9,14H2,1H3
InChIKey
BPDOFNLBDAEHOX-UHFFFAOYSA-N
Compound name
N'-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.16846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17574 153.7
[M+Na]+ 258.15768 158.5
[M-H]- 234.16118 154.1
[M+NH4]+ 253.20228 169.8
[M+K]+ 274.13162 154.3
[M+H-H2O]+ 218.16572 146.2
[M+HCOO]- 280.16666 172.8
[M+CH3COO]- 294.18231 195.3
[M+Na-2H]- 256.14313 159.1
[M]+ 235.16791 149.4
[M]- 235.16901 149.4
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.