CID 3047344

(+-)-(3-(2,4-dichlorophenoxy)-2-hydroxypropyl)guanidine sulfate (2:1) (salt)

Structural Information

Molecular Formula
C10H13Cl2N3O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(CN=C(N)N)O
InChI
InChI=1S/C10H13Cl2N3O2/c11-6-1-2-9(8(12)3-6)17-5-7(16)4-15-10(13)14/h1-3,7,16H,4-5H2,(H4,13,14,15)
InChIKey
ARCUCWJFTOWNKR-UHFFFAOYSA-N
Compound name
2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.03848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04576 159.9
[M+Na]+ 300.02770 167.0
[M-H]- 276.03120 162.1
[M+NH4]+ 295.07230 176.0
[M+K]+ 316.00164 162.2
[M+H-H2O]+ 260.03574 155.1
[M+HCOO]- 322.03668 175.1
[M+CH3COO]- 336.05233 203.1
[M+Na-2H]- 298.01315 161.0
[M]+ 277.03793 160.8
[M]- 277.03903 160.8
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.