CID 40084

51685-34-8

Structural Information

Molecular Formula
C19H17N3O4
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]
InChI
InChI=1S/C19H17N3O4/c23-19-18(22(24)25)17(15-8-4-5-9-16(15)26-19)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey
GIOHJKNNGCQEIU-UHFFFAOYSA-N
Compound name
3-nitro-4-(4-phenylpiperazin-1-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.12192 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12920 180.8
[M+Na]+ 374.11114 186.0
[M-H]- 350.11464 188.8
[M+NH4]+ 369.15574 188.6
[M+K]+ 390.08508 177.9
[M+H-H2O]+ 334.11918 173.3
[M+HCOO]- 396.12012 197.6
[M+CH3COO]- 410.13577 207.3
[M+Na-2H]- 372.09659 187.9
[M]+ 351.12137 176.9
[M]- 351.12247 176.9
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.