CID 3060275

77917-69-2

Structural Information

Molecular Formula
C21H29N3O4
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N(C(=O)C)C(=O)C
InChI
InChI=1S/C21H29N3O4/c1-4-5-6-7-12-22-13-14-23(21(28)20(22)27)15-18-8-10-19(11-9-18)24(16(2)25)17(3)26/h8-11H,4-7,12-15H2,1-3H3
InChIKey
VKRFFQFUQUAIST-UHFFFAOYSA-N
Compound name
N-acetyl-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

387.21582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22310 194.2
[M+Na]+ 410.20504 198.0
[M-H]- 386.20854 198.4
[M+NH4]+ 405.24964 203.2
[M+K]+ 426.17898 195.3
[M+H-H2O]+ 370.21308 184.0
[M+HCOO]- 432.21402 210.4
[M+CH3COO]- 446.22967 228.0
[M+Na-2H]- 408.19049 190.8
[M]+ 387.21527 196.2
[M]- 387.21637 196.2
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.