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]+ 386.161146 194.5
[M+Na]+ 408.143088 203.1
[M-H]- 384.146594 201.3
[M+NH4]+ 403.187693 202.4
[M+K]+ 424.117028 194.8
[M+H-H2O]+ 368.151130 182.4
[M+HCOO]- 430.152071 207.9
[M+CH3COO]- 444.167721 202.6
[M+Na-2H]- 406.128536 191.2
[M]+ 385.15332142 191.6
[M]- 385.15441858 191.6
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.