CID 162345442

Ns00132969

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
CC1=C(C=C(C=C1)Cl)NC(=NC2=C(C=CC(=C2)O)C)N
InChI
InChI=1S/C15H16ClN3O/c1-9-3-5-11(16)7-13(9)18-15(17)19-14-8-12(20)6-4-10(14)2/h3-8,20H,1-2H3,(H3,17,18,19)
InChIKey
QJFFLPFGZSXTKD-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09818 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.105456 168.0
[M+Na]+ 312.087398 176.2
[M-H]- 288.090904 174.8
[M+NH4]+ 307.132003 183.9
[M+K]+ 328.061338 170.5
[M+H-H2O]+ 272.095440 161.1
[M+HCOO]- 334.096381 189.3
[M+CH3COO]- 348.112031 208.7
[M+Na-2H]- 310.072846 170.7
[M]+ 289.09763142 168.2
[M]- 289.09872858 168.2
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.