CID 368564

Nsc639643

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CC(=O)N(C)C1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H11N3O3/c1-8(16)14(2)11-6-5-10-9(4-3-7-13-10)12(11)15(17)18/h3-7H,1-2H3
InChIKey
QDFOHFUHFUIQLT-UHFFFAOYSA-N
Compound name
N-methyl-N-(5-nitroquinolin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08733 150.0
[M+Na]+ 268.06927 156.9
[M-H]- 244.07277 154.9
[M+NH4]+ 263.11387 166.5
[M+K]+ 284.04321 151.6
[M+H-H2O]+ 228.07731 146.8
[M+HCOO]- 290.07825 174.1
[M+CH3COO]- 304.09390 193.5
[M+Na-2H]- 266.05472 158.4
[M]+ 245.07950 150.2
[M]- 245.08060 150.2
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.