CID 9571168

Chembl67722

Structural Information

Molecular Formula
C11H22N6O2
SMILES
CCC1CC(C(/C(=N/NC(=O)N)/C1)NNC(=O)N)C
InChI
InChI=1S/C11H22N6O2/c1-3-7-4-6(2)9(15-17-11(13)19)8(5-7)14-16-10(12)18/h6-7,9,15H,3-5H2,1-2H3,(H3,12,16,18)(H3,13,17,19)/b14-8+
InChIKey
JEZGJNFSDKQEDR-RIYZIHGNSA-N
Compound name
[(E)-[2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.18042 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18770 161.5
[M+Na]+ 293.16964 163.6
[M-H]- 269.17314 164.8
[M+NH4]+ 288.21424 176.0
[M+K]+ 309.14358 163.0
[M+H-H2O]+ 253.17768 153.2
[M+HCOO]- 315.17862 186.0
[M+CH3COO]- 329.19427 216.5
[M+Na-2H]- 291.15509 161.6
[M]+ 270.17987 153.6
[M]- 270.18097 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.