CID 3075112

171668-02-3

Structural Information

Molecular Formula
C22H19N5O3
SMILES
COC1=CC=C(C=C1)C2C=C(NC3=NC(=NN23)N4C(=O)CCC4=O)C5=CC=CC=C5
InChI
InChI=1S/C22H19N5O3/c1-30-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)23-21-24-22(25-27(18)21)26-19(28)11-12-20(26)29/h2-10,13,18H,11-12H2,1H3,(H,23,24,25)
InChIKey
RUQQIQBYRSXSKH-UHFFFAOYSA-N
Compound name
1-[7-(4-methoxyphenyl)-5-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

401.1488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.15608 196.5
[M+Na]+ 424.13802 204.8
[M-H]- 400.14152 203.4
[M+NH4]+ 419.18262 203.7
[M+K]+ 440.11196 197.3
[M+H-H2O]+ 384.14606 184.4
[M+HCOO]- 446.14700 210.1
[M+CH3COO]- 460.16265 204.5
[M+Na-2H]- 422.12347 193.5
[M]+ 401.14825 195.0
[M]- 401.14935 195.0
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.