CID 6540273

(2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol

Structural Information

Molecular Formula
C12H14N4O3
SMILES
C1=CC2=C(C=CC(=C2N=C1)NC[C@H](CN)O)[N+](=O)[O-]
InChI
InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1
InChIKey
MBZPCTWLFNYBND-QMMMGPOBSA-N
Compound name
(2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1066 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.113876 152.3
[M+Na]+ 285.095818 157.3
[M-H]- 261.099324 153.6
[M+NH4]+ 280.140423 166.1
[M+K]+ 301.069758 150.0
[M+H-H2O]+ 245.103860 149.1
[M+HCOO]- 307.104801 174.6
[M+CH3COO]- 321.120451 193.5
[M+Na-2H]- 283.081266 160.8
[M]+ 262.10605142 148.6
[M]- 262.10714858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.