CID 3043205

Benzenecarboximidamide, n-(5-chloro-2-methoxyphenyl)-n'-cyclohexyl-2-methyl-, monohydrochloride

Structural Information

Molecular Formula
C21H25ClN2O
SMILES
CC1=CC=CC=C1C(=NC2CCCCC2)NC3=C(C=CC(=C3)Cl)OC
InChI
InChI=1S/C21H25ClN2O/c1-15-8-6-7-11-18(15)21(23-17-9-4-3-5-10-17)24-19-14-16(22)12-13-20(19)25-2/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,24)
InChIKey
JMRTXFNDTQHLCV-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-N'-cyclohexyl-2-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16553 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17281 187.4
[M+Na]+ 379.15475 191.6
[M-H]- 355.15825 197.0
[M+NH4]+ 374.19935 200.7
[M+K]+ 395.12869 185.6
[M+H-H2O]+ 339.16279 178.1
[M+HCOO]- 401.16373 204.8
[M+CH3COO]- 415.17938 220.1
[M+Na-2H]- 377.14020 188.4
[M]+ 356.16498 186.0
[M]- 356.16608 186.0
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.