CID 162345635

Ns00132973

Structural Information

Molecular Formula
C15H15Cl2N3O
SMILES
CC1=C(C=C(C=C1)Cl)NC(=NC2=C(C=CC(=C2O)Cl)C)N
InChI
InChI=1S/C15H15Cl2N3O/c1-8-3-5-10(16)7-12(8)19-15(18)20-13-9(2)4-6-11(17)14(13)21/h3-7,21H,1-2H3,(H3,18,19,20)
InChIKey
YDSWPYMYHRLJQV-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-hydroxy-6-methylphenyl)-1-(5-chloro-2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.066476 175.3
[M+Na]+ 346.048418 184.8
[M-H]- 322.051924 181.7
[M+NH4]+ 341.093023 190.6
[M+K]+ 362.022358 178.0
[M+H-H2O]+ 306.056460 169.5
[M+HCOO]- 368.057401 191.5
[M+CH3COO]- 382.073051 214.1
[M+Na-2H]- 344.033866 176.5
[M]+ 323.05865142 177.4
[M]- 323.05974858 177.4
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.