CID 58621

101651-63-2

Structural Information

Molecular Formula
C20H28ClN3O3
SMILES
CCCCCCN1CCN(C(=O)C1=O)C2=CC=C(C=C2)N(CC)C(=O)CCl
InChI
InChI=1S/C20H28ClN3O3/c1-3-5-6-7-12-22-13-14-24(20(27)19(22)26)17-10-8-16(9-11-17)23(4-2)18(25)15-21/h8-11H,3-7,12-15H2,1-2H3
InChIKey
IPMMTCLDQMFGDX-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[4-(4-hexyl-2,3-dioxopiperazin-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18192 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18920 194.9
[M+Na]+ 416.17114 199.9
[M-H]- 392.17464 198.9
[M+NH4]+ 411.21574 204.7
[M+K]+ 432.14508 195.1
[M+H-H2O]+ 376.17918 185.2
[M+HCOO]- 438.18012 207.4
[M+CH3COO]- 452.19577 226.9
[M+Na-2H]- 414.15659 192.4
[M]+ 393.18137 198.6
[M]- 393.18247 198.6
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.