CID 40083

51685-33-7

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CN1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O4/c1-15-6-8-16(9-7-15)12-10-4-2-3-5-11(10)21-14(18)13(12)17(19)20/h2-5H,6-9H2,1H3
InChIKey
YENAYOJVUHVETP-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-3-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.10626 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 163.5
[M+Na]+ 312.09548 170.2
[M-H]- 288.09898 169.0
[M+NH4]+ 307.14008 174.9
[M+K]+ 328.06942 163.7
[M+H-H2O]+ 272.10352 158.3
[M+HCOO]- 334.10446 181.1
[M+CH3COO]- 348.12011 196.0
[M+Na-2H]- 310.08093 171.2
[M]+ 289.10571 160.9
[M]- 289.10681 160.9
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

No patent data available for this compound.