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

literature stripe

Patent stripe

patents stripe