CID 169502230

Precursor of cycloguanil

Structural Information

Molecular Formula
C11H20ClN5
SMILES
CC(=NC(=NC(=NC1CCC(CC1)Cl)N)N)C
InChI
InChI=1S/C11H20ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h8-9H,3-6H2,1-2H3,(H4,13,14,16,17)
InChIKey
DQOAYLWQLCFPNQ-UHFFFAOYSA-N
Compound name
1-[amino-(propan-2-ylideneamino)methylidene]-2-(4-chlorocyclohexyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

257.14072 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14800 164.8
[M+Na]+ 280.12994 167.6
[M-H]- 256.13344 170.3
[M+NH4]+ 275.17454 182.3
[M+K]+ 296.10388 165.6
[M+H-H2O]+ 240.13798 157.7
[M+HCOO]- 302.13892 185.7
[M+CH3COO]- 316.15457 211.6
[M+Na-2H]- 278.11539 164.5
[M]+ 257.14017 159.2
[M]- 257.14127 159.2
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.