CID 365339

Nsc632930

Structural Information

Molecular Formula
C16H14N4O4
SMILES
C1=CC=C(C=C1)C(=O)NC2C(NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O4/c21-15(10-5-2-1-3-6-10)17-14-13(18-19-16(14)22)11-7-4-8-12(9-11)20(23)24/h1-9,13-14,18H,(H,17,21)(H,19,22)
InChIKey
ALWSDUMBUGJGDX-UHFFFAOYSA-N
Compound name
N-[3-(3-nitrophenyl)-5-oxopyrazolidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1015 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 170.4
[M+Na]+ 349.09072 174.0
[M-H]- 325.09422 175.1
[M+NH4]+ 344.13532 179.9
[M+K]+ 365.06466 164.5
[M+H-H2O]+ 309.09876 165.4
[M+HCOO]- 371.09970 189.5
[M+CH3COO]- 385.11535 197.2
[M+Na-2H]- 347.07617 174.3
[M]+ 326.10095 162.6
[M]- 326.10205 162.6
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

No patent data available for this compound.