CID 367238

Nsc636781

Structural Information

Molecular Formula
C11H18N4O2
SMILES
C1CCC(CC1)N2CC(=C(N)N)C(=O)NC2=O
InChI
InChI=1S/C11H18N4O2/c12-9(13)8-6-15(11(17)14-10(8)16)7-4-2-1-3-5-7/h7H,1-6,12-13H2,(H,14,16,17)
InChIKey
HVVZEHWLAGVCMI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-(diaminomethylidene)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 157.3
[M+Na]+ 261.13219 160.4
[M-H]- 237.13569 157.8
[M+NH4]+ 256.17679 169.9
[M+K]+ 277.10613 156.4
[M+H-H2O]+ 221.14023 149.0
[M+HCOO]- 283.14117 170.6
[M+CH3COO]- 297.15682 192.9
[M+Na-2H]- 259.11764 156.0
[M]+ 238.14242 143.9
[M]- 238.14352 143.9
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

No patent data available for this compound.