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]+ 239.150246 157.3
[M+Na]+ 261.132188 160.4
[M-H]- 237.135694 157.8
[M+NH4]+ 256.176793 169.9
[M+K]+ 277.106128 156.4
[M+H-H2O]+ 221.140230 149.0
[M+HCOO]- 283.141171 170.6
[M+CH3COO]- 297.156821 192.9
[M+Na-2H]- 259.117636 156.0
[M]+ 238.14242142 143.9
[M]- 238.14351858 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.