CID 215597

1,3-propanediamine, n,n-dimethyl-n'-(2-(tribromomethyl)-4-quinolinyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H18Br3N3
SMILES
CN(C)CCCNC1=CC(=NC2=CC=CC=C21)C(Br)(Br)Br
InChI
InChI=1S/C15H18Br3N3/c1-21(2)9-5-8-19-13-10-14(15(16,17)18)20-12-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,20)
InChIKey
QXNMKEYRFDQXCV-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[2-(tribromomethyl)quinolin-4-yl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.9051 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.91238 169.1
[M+Na]+ 499.89432 174.6
[M-H]- 475.89782 174.2
[M+NH4]+ 494.93892 180.8
[M+K]+ 515.86826 158.9
[M+H-H2O]+ 459.90236 181.7
[M+HCOO]- 521.90330 177.6
[M+CH3COO]- 535.91895 236.5
[M+Na-2H]- 497.87977 173.6
[M]+ 476.90455 210.0
[M]- 476.90565 210.0
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.