CID 3075111

171668-01-2

Structural Information

Molecular Formula
C21H17N5O2
SMILES
C1CC(=O)N(C1=O)C2=NN3C(C=C(NC3=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C21H17N5O2/c27-18-11-12-19(28)25(18)21-23-20-22-16(14-7-3-1-4-8-14)13-17(26(20)24-21)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H,22,23,24)
InChIKey
DSNUKTQGSQVKBT-UHFFFAOYSA-N
Compound name
1-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

371.1382 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14548 189.0
[M+Na]+ 394.12742 197.2
[M-H]- 370.13092 195.6
[M+NH4]+ 389.17202 197.2
[M+K]+ 410.10136 189.2
[M+H-H2O]+ 354.13546 176.8
[M+HCOO]- 416.13640 202.8
[M+CH3COO]- 430.15205 197.2
[M+Na-2H]- 392.11287 187.0
[M]+ 371.13765 185.4
[M]- 371.13875 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.