CID 3075113

171668-03-4

Structural Information

Molecular Formula
C22H19N5O2
SMILES
CC1=CC=C(C=C1)C2=CC(N3C(=NC(=N3)N4C(=O)CCC4=O)N2)C5=CC=CC=C5
InChI
InChI=1S/C22H19N5O2/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)27-21(23-17)24-22(25-27)26-19(28)11-12-20(26)29/h2-10,13,18H,11-12H2,1H3,(H,23,24,25)
InChIKey
NHDVAVZCKCCAJY-UHFFFAOYSA-N
Compound name
1-[5-(4-methylphenyl)-7-phenyl-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

0
References

0
Patents

385.15387 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16115 193.7
[M+Na]+ 408.14309 208.7
[M+NH4]+ 403.18769 199.7
[M+K]+ 424.11703 205.1
[M-H]- 384.14659 198.4
[M+Na-2H]- 406.12854 201.0
[M]+ 385.15332 197.1
[M]- 385.15442 197.1
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

No patent data available for this compound.