CID 3073337

148270-00-2

Structural Information

Molecular Formula
C15H21ClN4O
SMILES
C1CC(CCC1CN=C(N)N)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H21ClN4O/c16-12-5-7-13(8-6-12)20-14(21)11-3-1-10(2-4-11)9-19-15(17)18/h5-8,10-11H,1-4,9H2,(H,20,21)(H4,17,18,19)
InChIKey
LMMVLRUWRRQASU-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.14038 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14766 173.5
[M+Na]+ 331.12960 176.5
[M-H]- 307.13310 179.3
[M+NH4]+ 326.17420 187.7
[M+K]+ 347.10354 171.9
[M+H-H2O]+ 291.13764 165.9
[M+HCOO]- 353.13858 191.7
[M+CH3COO]- 367.15423 214.6
[M+Na-2H]- 329.11505 173.6
[M]+ 308.13983 167.6
[M]- 308.14093 167.6
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.