CID 3060262

Brn 5652553

Structural Information

Molecular Formula
C20H19N7O2
SMILES
C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=NC=CN=C4
InChI
InChI=1S/C20H19N7O2/c28-18-19(29)27(14-17-12-21-8-9-22-17)11-10-26(18)13-15-2-4-16(5-3-15)25-20-23-6-1-7-24-20/h1-9,12H,10-11,13-14H2,(H,23,24,25)
InChIKey
KOBIJMRTXXFKBV-UHFFFAOYSA-N
Compound name
1-(pyrazin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16003 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16731 196.7
[M+Na]+ 412.14925 203.1
[M-H]- 388.15275 200.7
[M+NH4]+ 407.19385 198.0
[M+K]+ 428.12319 194.6
[M+H-H2O]+ 372.15729 181.4
[M+HCOO]- 434.15823 210.1
[M+CH3COO]- 448.17388 202.9
[M+Na-2H]- 410.13470 201.2
[M]+ 389.15948 192.9
[M]- 389.16058 192.9
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.