CID 3038300

Brn 1402982

Structural Information

Molecular Formula
C14H16N4O4
SMILES
CC1=C(C=CO1)N(/C=C/N(C2=C(OC=C2)C)C(=O)N)C(=O)N
InChI
InChI=1S/C14H16N4O4/c1-9-11(3-7-21-9)17(13(15)19)5-6-18(14(16)20)12-4-8-22-10(12)2/h3-8H,1-2H3,(H2,15,19)(H2,16,20)/b6-5+
InChIKey
ORKYYFPFZZFPPF-AATRIKPKSA-N
Compound name
1-[(E)-2-[carbamoyl-(2-methylfuran-3-yl)amino]ethenyl]-1-(2-methylfuran-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11716 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 175.2
[M+Na]+ 327.10638 180.9
[M-H]- 303.10988 186.1
[M+NH4]+ 322.15098 190.1
[M+K]+ 343.08032 182.7
[M+H-H2O]+ 287.11442 167.2
[M+HCOO]- 349.11536 203.4
[M+CH3COO]- 363.13101 216.4
[M+Na-2H]- 325.09183 175.3
[M]+ 304.11661 178.7
[M]- 304.11771 178.7
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.