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

6
Patents

293.14072 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14800 171.4
[M+Na]+ 316.12994 175.4
[M-H]- 292.13344 177.4
[M+NH4]+ 311.17454 185.8
[M+K]+ 332.10388 171.1
[M+H-H2O]+ 276.13798 162.7
[M+HCOO]- 338.13892 189.9
[M+CH3COO]- 352.15457 213.0
[M+Na-2H]- 314.11539 172.5
[M]+ 293.14017 165.8
[M]- 293.14127 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