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]+ 319.212846 178.9
[M+Na]+ 341.194788 183.7
[M-H]- 317.198294 183.0
[M+NH4]+ 336.239393 190.4
[M+K]+ 357.168728 180.2
[M+H-H2O]+ 301.202830 168.8
[M+HCOO]- 363.203771 197.9
[M+CH3COO]- 377.219421 217.5
[M+Na-2H]- 339.180236 178.8
[M]+ 318.20502142 177.6
[M]- 318.20611858 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