CID 3051350

Dl-1-(3-(2,5-dichloroanilino)-2-hydroxypropyl)guanidine hemisulfate

Structural Information

Molecular Formula
C10H14Cl2N4O
SMILES
C1=CC(=C(C=C1Cl)NCC(CN=C(N)N)O)Cl
InChI
InChI=1S/C10H14Cl2N4O/c11-6-1-2-8(12)9(3-6)15-4-7(17)5-16-10(13)14/h1-3,7,15,17H,4-5H2,(H4,13,14,16)
InChIKey
BCBFSYZIVCJEFE-UHFFFAOYSA-N
Compound name
2-[3-(2,5-dichloroanilino)-2-hydroxypropyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05447 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06175 162.2
[M+Na]+ 299.04369 168.5
[M-H]- 275.04719 164.3
[M+NH4]+ 294.08829 178.0
[M+K]+ 315.01763 163.3
[M+H-H2O]+ 259.05173 157.2
[M+HCOO]- 321.05267 178.1
[M+CH3COO]- 335.06832 206.2
[M+Na-2H]- 297.02914 163.4
[M]+ 276.05392 161.0
[M]- 276.05502 161.0
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.