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 178.9
[M+Na]+ 341.19479 183.7
[M-H]- 317.19829 183.0
[M+NH4]+ 336.23939 190.4
[M+K]+ 357.16873 180.2
[M+H-H2O]+ 301.20283 168.8
[M+HCOO]- 363.20377 197.9
[M+CH3COO]- 377.21942 217.5
[M+Na-2H]- 339.18024 178.8
[M]+ 318.20502 177.6
[M]- 318.20612 177.6
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

patents stripe