CID 9570328

Gs 4975

Structural Information

Molecular Formula
C14H16N4O7
SMILES
CC(C)(C)COC(=O)N1C(=O)CN(C1=O)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H16N4O7/c1-14(2,3)8-24-13(21)17-10(19)7-16(12(17)20)15-6-9-4-5-11(25-9)18(22)23/h4-6H,7-8H2,1-3H3/b15-6+
InChIKey
SMSHZIGPYPKFGX-GIDUJCDVSA-N
Compound name
2,2-dimethylpropyl 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2,5-dioxoimidazolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1019 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10918 177.7
[M+Na]+ 375.09112 183.6
[M-H]- 351.09462 184.8
[M+NH4]+ 370.13572 189.6
[M+K]+ 391.06506 180.0
[M+H-H2O]+ 335.09916 175.2
[M+HCOO]- 397.10010 199.6
[M+CH3COO]- 411.11575 207.2
[M+Na-2H]- 373.07657 182.1
[M]+ 352.10135 180.5
[M]- 352.10245 180.5
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.