CID 3071300

Acetamide, 2-(4-chlorophenoxy)-n-(2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H24ClN3O2
SMILES
CN1CCCN(CC1)CCNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H24ClN3O2/c1-19-8-2-9-20(12-11-19)10-7-18-16(21)13-22-15-5-3-14(17)4-6-15/h3-6H,2,7-13H2,1H3,(H,18,21)
InChIKey
ZUMJZBXVGGJCHC-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1557 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16298 173.9
[M+Na]+ 348.14492 177.6
[M-H]- 324.14842 177.4
[M+NH4]+ 343.18952 184.9
[M+K]+ 364.11886 178.1
[M+H-H2O]+ 308.15296 163.8
[M+HCOO]- 370.15390 186.6
[M+CH3COO]- 384.16955 208.8
[M+Na-2H]- 346.13037 175.3
[M]+ 325.15515 170.8
[M]- 325.15625 170.8
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.