CID 3043203

Hg-70 (pharmaceutical)

Structural Information

Molecular Formula
C20H23ClN2O
SMILES
COC1=C(C=C(C=C1)Cl)NC(=NC2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H23ClN2O/c1-24-19-13-12-16(21)14-18(19)23-20(15-8-4-2-5-9-15)22-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,22,23)
InChIKey
BHLTVTDCSWCODU-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-N'-cyclohexylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.1499 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.157176 182.5
[M+Na]+ 365.139118 186.1
[M-H]- 341.142624 191.8
[M+NH4]+ 360.183723 196.0
[M+K]+ 381.113058 180.3
[M+H-H2O]+ 325.147160 173.1
[M+HCOO]- 387.148101 200.2
[M+CH3COO]- 401.163751 215.9
[M+Na-2H]- 363.124566 184.8
[M]+ 342.14935142 180.3
[M]- 342.15044858 180.3
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.