CID 3060247

77916-97-3

Structural Information

Molecular Formula
C22H21N5O2
SMILES
C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=CC=N4
InChI
InChI=1S/C22H21N5O2/c28-20-21(29)27(14-13-26(20)15-17-5-2-1-3-6-17)16-18-7-9-19(10-8-18)25-22-23-11-4-12-24-22/h1-12H,13-16H2,(H,23,24,25)
InChIKey
ZCLGFADSFCRJBR-UHFFFAOYSA-N
Compound name
1-benzyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

387.16953 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17681 195.1
[M+Na]+ 410.15875 210.8
[M+NH4]+ 405.20335 200.9
[M+K]+ 426.13269 202.1
[M-H]- 386.16225 201.6
[M+Na-2H]- 408.14420 205.9
[M]+ 387.16898 199.1
[M]- 387.17008 199.1
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