CID 369103

Hydroxy-dimethyl-[3-[(5-nitro-4-quinolyl)amino]propyl]ammonium

Structural Information

Molecular Formula
C14H19N4O3
SMILES
C[N+](C)(CCCNC1=C2C(=NC=C1)C=CC=C2[N+](=O)[O-])O
InChI
InChI=1S/C14H19N4O3/c1-18(2,21)10-4-8-15-12-7-9-16-11-5-3-6-13(14(11)12)17(19)20/h3,5-7,9,21H,4,8,10H2,1-2H3,(H,15,16)/q+1
InChIKey
DPCOFFHCTQEOAI-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-[3-[(5-nitroquinolin-4-yl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14572 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15300 161.4
[M+Na]+ 314.13494 166.3
[M-H]- 290.13844 164.7
[M+NH4]+ 309.17954 174.9
[M+K]+ 330.10888 153.9
[M+H-H2O]+ 274.14298 160.9
[M+HCOO]- 336.14392 183.7
[M+CH3COO]- 350.15957 195.7
[M+Na-2H]- 312.12039 175.0
[M]+ 291.14517 159.5
[M]- 291.14627 159.5
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.