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]+ 236.175736 153.7
[M+Na]+ 258.157678 158.5
[M-H]- 234.161184 154.1
[M+NH4]+ 253.202283 169.8
[M+K]+ 274.131618 154.3
[M+H-H2O]+ 218.165720 146.2
[M+HCOO]- 280.166661 172.8
[M+CH3COO]- 294.182311 195.3
[M+Na-2H]- 256.143126 159.1
[M]+ 235.16791142 149.4
[M]- 235.16900858 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.