CID 493127

Jpc7776

Structural Information

Molecular Formula
C14H20Cl3N5O2
SMILES
CC(C)N=C(N)N(C(=N)N)OCCCOC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C14H20Cl3N5O2/c1-8(2)21-14(20)22(13(18)19)24-5-3-4-23-12-7-10(16)9(15)6-11(12)17/h6-8H,3-5H2,1-2H3,(H3,18,19)(H2,20,21)
InChIKey
QWGHFUIMJPYILV-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-2-propan-2-yl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 194.5
[M+Na]+ 418.05749 199.8
[M-H]- 394.06099 198.1
[M+NH4]+ 413.10209 206.9
[M+K]+ 434.03143 195.9
[M+H-H2O]+ 378.06553 189.3
[M+HCOO]- 440.06647 206.3
[M+CH3COO]- 454.08212 234.7
[M+Na-2H]- 416.04294 191.0
[M]+ 395.06772 198.0
[M]- 395.06882 198.0
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.