CID 57927251

3-amino-1-(5-methyl-1,2,4-oxadiazol-3-yl)urea

Structural Information

Molecular Formula
C4H7N5O2
SMILES
CC1=NC(=NO1)NC(=O)NN
InChI
InChI=1S/C4H7N5O2/c1-2-6-3(9-11-2)7-4(10)8-5/h5H2,1H3,(H2,7,8,9,10)
InChIKey
SXYBOFXHNNOCEJ-UHFFFAOYSA-N
Compound name
1-amino-3-(5-methyl-1,2,4-oxadiazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

157.05997 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06725 129.9
[M+Na]+ 180.04919 137.6
[M-H]- 156.05269 131.8
[M+NH4]+ 175.09379 147.4
[M+K]+ 196.02313 138.2
[M+H-H2O]+ 140.05723 122.0
[M+HCOO]- 202.05817 155.3
[M+CH3COO]- 216.07382 180.0
[M+Na-2H]- 178.03464 137.2
[M]+ 157.05942 128.7
[M]- 157.06052 128.7
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

patents stripe