CID 3067936

Porophor dtk-5

Structural Information

Molecular Formula
C3H4N10O
SMILES
C1(=NNN=N1)NC(=O)NC2=NNN=N2
InChI
InChI=1S/C3H4N10O/c14-3(4-1-6-10-11-7-1)5-2-8-12-13-9-2/h(H4,4,5,6,7,8,9,10,11,12,13,14)
InChIKey
YWFFSAPMRZALFV-UHFFFAOYSA-N
Compound name
1,3-bis(2H-tetrazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.05696 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06424 135.7
[M+Na]+ 219.04618 145.3
[M-H]- 195.04968 132.0
[M+NH4]+ 214.09078 145.4
[M+K]+ 235.02012 142.0
[M+H-H2O]+ 179.05422 124.7
[M+HCOO]- 241.05516 154.4
[M+CH3COO]- 255.07081 146.0
[M+Na-2H]- 217.03163 144.0
[M]+ 196.05641 133.1
[M]- 196.05751 133.1
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