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

4
Patents

196.05696 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.064236 135.7
[M+Na]+ 219.046178 145.3
[M-H]- 195.049684 132.0
[M+NH4]+ 214.090783 145.4
[M+K]+ 235.020118 142.0
[M+H-H2O]+ 179.054220 124.7
[M+HCOO]- 241.055161 154.4
[M+CH3COO]- 255.070811 146.0
[M+Na-2H]- 217.031626 144.0
[M]+ 196.05641142 133.1
[M]- 196.05750858 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