CID 3060246

Brn 5764750

Structural Information

Molecular Formula
C17H26N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)CN2CCN(C(=O)C2=O)CCN
InChI
InChI=1S/C17H26N4O2/c1-3-19(4-2)15-7-5-14(6-8-15)13-21-12-11-20(10-9-18)16(22)17(21)23/h5-8H,3-4,9-13,18H2,1-2H3
InChIKey
BITZNYGILGMNEO-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

318.20557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21285 178.3
[M+Na]+ 341.19479 188.3
[M+NH4]+ 336.23939 183.9
[M+K]+ 357.16873 182.2
[M-H]- 317.19829 181.3
[M+Na-2H]- 339.18024 182.7
[M]+ 318.20502 180.2
[M]- 318.20612 180.2
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

patents stripe