CID 3077946

Brn 4764312

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H20N2O5/c1-2-3-4-11-23-15-10-9-14(19)17(15)16(20)12-5-7-13(8-6-12)18(21)22/h5-8,15H,2-4,9-11H2,1H3
InChIKey
YVHQPAQCAOTTNS-UHFFFAOYSA-N
Compound name
1-(4-nitrobenzoyl)-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.1372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 175.4
[M+Na]+ 343.12642 179.9
[M-H]- 319.12992 180.3
[M+NH4]+ 338.17102 188.9
[M+K]+ 359.10036 173.4
[M+H-H2O]+ 303.13446 171.8
[M+HCOO]- 365.13540 196.6
[M+CH3COO]- 379.15105 200.5
[M+Na-2H]- 341.11187 176.7
[M]+ 320.13665 175.3
[M]- 320.13775 175.3
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

patents stripe