CID 113860

Brn 0769000

Structural Information

Molecular Formula
C14H19N5O5
SMILES
CCN(CC)CCN1C(=O)CN(C1=O)N=CC2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H19N5O5/c1-3-16(4-2)7-8-17-12(20)10-18(14(17)21)15-9-11-5-6-13(24-11)19(22)23/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKey
FLYYDGHNISORAD-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1386 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14588 177.8
[M+Na]+ 360.12782 182.9
[M-H]- 336.13132 185.6
[M+NH4]+ 355.17242 190.6
[M+K]+ 376.10176 178.8
[M+H-H2O]+ 320.13586 173.5
[M+HCOO]- 382.13680 203.1
[M+CH3COO]- 396.15245 213.0
[M+Na-2H]- 358.11327 180.7
[M]+ 337.13805 180.4
[M]- 337.13915 180.4
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