CID 28798

17826-45-8

Structural Information

Molecular Formula
C13H19Cl2N3
SMILES
CC(C)NC(=NC(C)C)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H19Cl2N3/c1-8(2)16-13(17-9(3)4)18-10-5-6-11(14)12(15)7-10/h5-9H,1-4H3,(H2,16,17,18)
InChIKey
XHRFOWAEJQVERX-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2,3-di(propan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0956 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10288 169.4
[M+Na]+ 310.08482 175.8
[M-H]- 286.08832 173.6
[M+NH4]+ 305.12942 186.6
[M+K]+ 326.05876 171.0
[M+H-H2O]+ 270.09286 164.2
[M+HCOO]- 332.09380 184.8
[M+CH3COO]- 346.10945 210.8
[M+Na-2H]- 308.07027 170.1
[M]+ 287.09505 171.7
[M]- 287.09615 171.7
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.