CID 3060276

77917-85-2

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)CN2CCN(C(=O)C2=O)CC3=CC=CC=N3
InChI
InChI=1S/C21H26N4O2/c1-3-23(4-2)19-10-8-17(9-11-19)15-24-13-14-25(21(27)20(24)26)16-18-7-5-6-12-22-18/h5-12H,3-4,13-16H2,1-2H3
InChIKey
FPIDXEXPTVKRGD-UHFFFAOYSA-N
Compound name
1-[[4-(diethylamino)phenyl]methyl]-4-(pyridin-2-ylmethyl)piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 191.5
[M+Na]+ 389.19479 196.5
[M-H]- 365.19829 197.4
[M+NH4]+ 384.23939 199.4
[M+K]+ 405.16873 191.4
[M+H-H2O]+ 349.20283 178.9
[M+HCOO]- 411.20377 208.5
[M+CH3COO]- 425.21942 223.4
[M+Na-2H]- 387.18024 192.3
[M]+ 366.20502 190.9
[M]- 366.20612 190.9
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.