CID 3071261

Acetamide, 2-(4-chlorophenoxy)-n-(3-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H26ClN3O2
SMILES
CN1CCCN(CC1)CCCNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H26ClN3O2/c1-20-9-3-11-21(13-12-20)10-2-8-19-17(22)14-23-16-6-4-15(18)5-7-16/h4-7H,2-3,8-14H2,1H3,(H,19,22)
InChIKey
YQWLOVUHTMOOTA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.17136 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17864 178.1
[M+Na]+ 362.16058 181.4
[M-H]- 338.16408 181.5
[M+NH4]+ 357.20518 188.6
[M+K]+ 378.13452 181.7
[M+H-H2O]+ 322.16862 167.8
[M+HCOO]- 384.16956 190.5
[M+CH3COO]- 398.18521 211.6
[M+Na-2H]- 360.14603 179.0
[M]+ 339.17081 175.4
[M]- 339.17191 175.4
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.