CID 459719

8-acetamido-6-chloro-5-nitroquinoline

Structural Information

Molecular Formula
C11H8ClN3O3
SMILES
CC(=O)NC1=CC(=C(C2=C1N=CC=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H8ClN3O3/c1-6(16)14-9-5-8(12)11(15(17)18)7-3-2-4-13-10(7)9/h2-5H,1H3,(H,14,16)
InChIKey
ZAGIYYLCWZAILF-UHFFFAOYSA-N
Compound name
N-(6-chloro-5-nitroquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

265.02542 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03270 152.6
[M+Na]+ 288.01464 161.1
[M-H]- 264.01814 156.1
[M+NH4]+ 283.05924 168.7
[M+K]+ 303.98858 153.1
[M+H-H2O]+ 248.02268 150.9
[M+HCOO]- 310.02362 171.9
[M+CH3COO]- 324.03927 192.0
[M+Na-2H]- 286.00009 160.9
[M]+ 265.02487 153.9
[M]- 265.02597 153.9
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

patents stripe