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

0
Patents

342.1499 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15718 182.5
[M+Na]+ 365.13912 186.1
[M-H]- 341.14262 191.8
[M+NH4]+ 360.18372 196.0
[M+K]+ 381.11306 180.3
[M+H-H2O]+ 325.14716 173.1
[M+HCOO]- 387.14810 200.2
[M+CH3COO]- 401.16375 215.9
[M+Na-2H]- 363.12457 184.8
[M]+ 342.14935 180.3
[M]- 342.15045 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.