CID 369684

Hydroxy-dimethyl-[3-[(8-methyl-5-nitro-4-quinolyl)amino]propyl]ammonium

Structural Information

Molecular Formula
C15H21N4O3
SMILES
CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCC[N+](C)(C)O
InChI
InChI=1S/C15H21N4O3/c1-11-5-6-13(18(20)21)14-12(7-9-17-15(11)14)16-8-4-10-19(2,3)22/h5-7,9,22H,4,8,10H2,1-3H3,(H,16,17)/q+1
InChIKey
SSUFIYUGKLXGIY-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-[3-[(8-methyl-5-nitroquinolin-4-yl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16866 166.6
[M+Na]+ 328.15060 171.9
[M-H]- 304.15410 170.0
[M+NH4]+ 323.19520 179.8
[M+K]+ 344.12454 159.3
[M+H-H2O]+ 288.15864 166.1
[M+HCOO]- 350.15958 188.4
[M+CH3COO]- 364.17523 199.8
[M+Na-2H]- 326.13605 178.9
[M]+ 305.16083 165.3
[M]- 305.16193 165.3
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.