CID 9571109

152662-90-3

Structural Information

Molecular Formula
C14H20Cl3N5O2
SMILES
CC(C)N=C(N)/N=C(\N)/NOCCCOC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C14H20Cl3N5O2/c1-8(2)20-13(18)21-14(19)22-24-5-3-4-23-12-7-10(16)9(15)6-11(12)17/h6-8H,3-5H2,1-2H3,(H5,18,19,20,21,22)
InChIKey
LXMYLZNSNKNNEJ-UHFFFAOYSA-N
Compound name
(1E)-1-[amino-[3-(2,4,5-trichlorophenoxy)propoxyamino]methylidene]-2-propan-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

9
Patents

395.06827 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07555 194.7
[M+Na]+ 418.05749 200.3
[M-H]- 394.06099 198.2
[M+NH4]+ 413.10209 207.2
[M+K]+ 434.03143 195.9
[M+H-H2O]+ 378.06553 189.3
[M+HCOO]- 440.06647 207.4
[M+CH3COO]- 454.08212 233.2
[M+Na-2H]- 416.04294 192.2
[M]+ 395.06772 198.6
[M]- 395.06882 198.6
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.