CID 387473

Nsc681277

Structural Information

Molecular Formula
C10H7N5O3
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N=[N+]=[N-]
InChI
InChI=1S/C10H7N5O3/c1-14-7-5-3-2-4-6(7)8(12-13-11)9(10(14)16)15(17)18/h2-5H,1H3
InChIKey
PVHDZPYQHVOXSW-UHFFFAOYSA-N
Compound name
4-azido-1-methyl-3-nitroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.05489 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06217 148.4
[M+Na]+ 268.04411 156.6
[M-H]- 244.04761 154.9
[M+NH4]+ 263.08871 164.3
[M+K]+ 284.01805 145.5
[M+H-H2O]+ 228.05215 149.1
[M+HCOO]- 290.05309 177.9
[M+CH3COO]- 304.06874 192.4
[M+Na-2H]- 266.02956 161.4
[M]+ 245.05434 146.3
[M]- 245.05544 146.3
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