CID 3060272

Brn 5633513

Structural Information

Molecular Formula
C19H26ClN3O3
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C19H26ClN3O3/c1-2-3-4-5-10-22-11-12-23(19(26)18(22)25)14-15-6-8-16(9-7-15)21-17(24)13-20/h6-9H,2-5,10-14H2,1H3,(H,21,24)
InChIKey
JZQCQOXUEDRIOI-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[(4-hexyl-2,3-dioxopiperazin-1-yl)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.16626 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17354 191.3
[M+Na]+ 402.15548 196.5
[M-H]- 378.15898 194.0
[M+NH4]+ 397.20008 201.0
[M+K]+ 418.12942 190.6
[M+H-H2O]+ 362.16352 181.9
[M+HCOO]- 424.16446 203.6
[M+CH3COO]- 438.18011 220.7
[M+Na-2H]- 400.14093 189.9
[M]+ 379.16571 193.3
[M]- 379.16681 193.3
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.