CID 3073725

Benzamide, 4-amino-5-chloro-n-(2-(cyclohexylamino)ethyl)-2-methoxy-

Structural Information

Molecular Formula
C16H24ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NCCNC2CCCCC2)Cl)N
InChI
InChI=1S/C16H24ClN3O2/c1-22-15-10-14(18)13(17)9-12(15)16(21)20-8-7-19-11-5-3-2-4-6-11/h9-11,19H,2-8,18H2,1H3,(H,20,21)
InChIKey
GJZQASBIWDUYQD-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(cyclohexylamino)ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16298 177.3
[M+Na]+ 348.14492 180.9
[M-H]- 324.14842 182.3
[M+NH4]+ 343.18952 191.0
[M+K]+ 364.11886 176.1
[M+H-H2O]+ 308.15296 169.8
[M+HCOO]- 370.15390 194.2
[M+CH3COO]- 384.16955 214.4
[M+Na-2H]- 346.13037 177.6
[M]+ 325.15515 174.6
[M]- 325.15625 174.6
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.