CID 68754

Guanclofine

Structural Information

Molecular Formula
C9H12Cl2N4
SMILES
C1=CC(=C(C(=C1)Cl)NCCN=C(N)N)Cl
InChI
InChI=1S/C9H12Cl2N4/c10-6-2-1-3-7(11)8(6)14-4-5-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)
InChIKey
YDDRXDOPBABLRB-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichloroanilino)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

103
Patents

246.0439 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05118 155.4
[M+Na]+ 269.03312 162.9
[M-H]- 245.03662 158.8
[M+NH4]+ 264.07772 173.2
[M+K]+ 285.00706 157.5
[M+H-H2O]+ 229.04116 150.3
[M+HCOO]- 291.04210 173.7
[M+CH3COO]- 305.05775 202.5
[M+Na-2H]- 267.01857 158.7
[M]+ 246.04335 154.8
[M]- 246.04445 154.8
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.