CID 9317226

1049725-57-6

Structural Information

Molecular Formula
C16H22ClN3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C16H22ClN3O2/c1-12-4-3-5-13(2)16(12)18-14(21)11-19-6-8-20(9-7-19)15(22)10-17/h3-5H,6-11H2,1-2H3,(H,18,21)
InChIKey
XMESWPVTWDPGSR-UHFFFAOYSA-N
Compound name
2-[4-(2-chloroacetyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.14005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14733 176.5
[M+Na]+ 346.12927 181.9
[M-H]- 322.13277 179.5
[M+NH4]+ 341.17387 188.5
[M+K]+ 362.10321 177.0
[M+H-H2O]+ 306.13731 167.8
[M+HCOO]- 368.13825 188.5
[M+CH3COO]- 382.15390 209.4
[M+Na-2H]- 344.11472 176.1
[M]+ 323.13950 175.7
[M]- 323.14060 175.7
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

patents stripe