CID 213914

2,4-uretidinedione, 1,3-bis(p-nitrophenyl)-

Structural Information

Molecular Formula
C14H8N4O6
SMILES
C1=CC(=CC=C1N2C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H8N4O6/c19-13-15(9-1-5-11(6-2-9)17(21)22)14(20)16(13)10-3-7-12(8-4-10)18(23)24/h1-8H
InChIKey
SLEIUMJQAQQWOQ-UHFFFAOYSA-N
Compound name
1,3-bis(4-nitrophenyl)-1,3-diazetidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.04437 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05165 168.5
[M+Na]+ 351.03359 172.4
[M-H]- 327.03709 175.3
[M+NH4]+ 346.07819 170.6
[M+K]+ 367.00753 165.0
[M+H-H2O]+ 311.04163 160.3
[M+HCOO]- 373.04257 189.2
[M+CH3COO]- 387.05822 200.5
[M+Na-2H]- 349.01904 175.6
[M]+ 328.04382 173.1
[M]- 328.04492 173.1
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.