CID 3060261

77917-35-2

Structural Information

Molecular Formula
C19H17N7O2
SMILES
C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)C4=NC=CN=C4
InChI
InChI=1S/C19H17N7O2/c27-17-18(28)26(16-12-20-8-9-21-16)11-10-25(17)13-14-2-4-15(5-3-14)24-19-22-6-1-7-23-19/h1-9,12H,10-11,13H2,(H,22,23,24)
InChIKey
KXVRBMYLZJFTAO-UHFFFAOYSA-N
Compound name
1-pyrazin-2-yl-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

375.14438 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15166 192.8
[M+Na]+ 398.13360 199.7
[M-H]- 374.13710 196.9
[M+NH4]+ 393.17820 194.7
[M+K]+ 414.10754 191.3
[M+H-H2O]+ 358.14164 177.7
[M+HCOO]- 420.14258 206.5
[M+CH3COO]- 434.15823 199.4
[M+Na-2H]- 396.11905 197.8
[M]+ 375.14383 188.7
[M]- 375.14493 188.7
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.