CID 5353800

Diamide

Structural Information

Molecular Formula
C6H12N4O2
SMILES
CN(C)C(=O)/N=N/C(=O)N(C)C
InChI
InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3/b8-7+
InChIKey
VLSDXINSOMDCBK-BQYQJAHWSA-N
Compound name
(3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1246
References

29348
Patents

172.09602 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10330 137.8
[M+Na]+ 195.08524 143.4
[M-H]- 171.08874 144.1
[M+NH4]+ 190.12984 159.5
[M+K]+ 211.05918 147.9
[M+H-H2O]+ 155.09328 130.7
[M+HCOO]- 217.09422 168.6
[M+CH3COO]- 231.10987 198.9
[M+Na-2H]- 193.07069 142.7
[M]+ 172.09547 141.2
[M]- 172.09657 141.2
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

No patent data available for this compound.