CID 69296553

570410-72-9

Structural Information

Molecular Formula
C7H14N4O4
SMILES
C1[C@@H]([C@H](OC1NC(=O)N=C(N)N)CO)O
InChI
InChI=1S/C7H14N4O4/c8-6(9)11-7(14)10-5-1-3(13)4(2-12)15-5/h3-5,12-13H,1-2H2,(H5,8,9,10,11,14)/t3-,4+,5?/m0/s1
InChIKey
VGUQMXPKKFTIJO-PYHARJCCSA-N
Compound name
1-(diaminomethylidene)-3-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.1015 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10878 148.8
[M+Na]+ 241.09072 151.4
[M+NH4]+ 236.13532 152.7
[M+K]+ 257.06466 153.2
[M-H]- 217.09422 149.2
[M+Na-2H]- 239.07617 147.7
[M]+ 218.10095 148.2
[M]- 218.10205 148.2
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