CID 6338184

19803-79-3

Structural Information

Molecular Formula
C13H18ClN5
SMILES
C1CCN(CC1)/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N
InChI
InChI=1S/C13H18ClN5/c14-10-4-6-11(7-5-10)17-12(15)18-13(16)19-8-2-1-3-9-19/h4-7H,1-3,8-9H2,(H4,15,16,17,18)
InChIKey
DILJPVIGGWDEMI-UHFFFAOYSA-N
Compound name
N'-[N'-(4-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.12506 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13234 165.9
[M+Na]+ 302.11428 169.4
[M-H]- 278.11778 171.7
[M+NH4]+ 297.15888 180.5
[M+K]+ 318.08822 165.3
[M+H-H2O]+ 262.12232 157.1
[M+HCOO]- 324.12326 184.8
[M+CH3COO]- 338.13891 208.8
[M+Na-2H]- 300.09973 168.4
[M]+ 279.12451 159.6
[M]- 279.12561 159.6
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

patents stripe