CID 6338185

19803-80-6

Structural Information

Molecular Formula
C14H20ClN5
SMILES
CC1CCN(CC1)/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N
InChI
InChI=1S/C14H20ClN5/c1-10-6-8-20(9-7-10)14(17)19-13(16)18-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H4,16,17,18,19)
InChIKey
TUTJPPXKNMRWSQ-UHFFFAOYSA-N
Compound name
N'-[N'-(4-chlorophenyl)carbamimidoyl]-4-methylpiperidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14072 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.147996 171.4
[M+Na]+ 316.129938 175.4
[M-H]- 292.133444 177.4
[M+NH4]+ 311.174543 185.8
[M+K]+ 332.103878 171.1
[M+H-H2O]+ 276.137980 162.7
[M+HCOO]- 338.138921 189.9
[M+CH3COO]- 352.154571 213.0
[M+Na-2H]- 314.115386 172.5
[M]+ 293.14017142 165.8
[M]- 293.14126858 165.8
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

patents stripe