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]+ 263.11388 152.3
[M+Na]+ 285.09582 157.3
[M-H]- 261.09932 153.6
[M+NH4]+ 280.14042 166.1
[M+K]+ 301.06976 150.0
[M+H-H2O]+ 245.10386 149.1
[M+HCOO]- 307.10480 174.6
[M+CH3COO]- 321.12045 193.5
[M+Na-2H]- 283.08127 160.8
[M]+ 262.10605 148.6
[M]- 262.10715 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.