CID 15958197

Schembl14015032

Structural Information

Molecular Formula
C22H19N3O5
SMILES
COC1=CC=C(C=C1)C2=C(N=C3C=C(NN3C2=O)C(=O)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H19N3O5/c1-28-15-8-4-13(5-9-15)19-20(14-6-10-16(29-2)11-7-14)23-18-12-17(22(27)30-3)24-25(18)21(19)26/h4-12,24H,1-3H3
InChIKey
TZCVBHZMTSHHHI-UHFFFAOYSA-N
Compound name
methyl 5,6-bis(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

405.13248 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13976 195.6
[M+Na]+ 428.12170 206.2
[M-H]- 404.12520 202.8
[M+NH4]+ 423.16630 204.3
[M+K]+ 444.09564 200.7
[M+H-H2O]+ 388.12974 184.7
[M+HCOO]- 450.13068 214.8
[M+CH3COO]- 464.14633 205.7
[M+Na-2H]- 426.10715 197.1
[M]+ 405.13193 202.4
[M]- 405.13303 202.4
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

patents stripe