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 146.8
[M+Na]+ 241.09072 150.6
[M-H]- 217.09422 148.7
[M+NH4]+ 236.13532 162.9
[M+K]+ 257.06466 151.0
[M+H-H2O]+ 201.09876 139.8
[M+HCOO]- 263.09970 169.1
[M+CH3COO]- 277.11535 192.6
[M+Na-2H]- 239.07617 147.9
[M]+ 218.10095 140.9
[M]- 218.10205 140.9
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