CID 15958198

Schembl14015033

Structural Information

Molecular Formula
C21H17N3O5
SMILES
COC1=CC=C(C=C1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H17N3O5/c1-28-14-7-3-12(4-8-14)18-19(13-5-9-15(29-2)10-6-13)22-17-11-16(21(26)27)23-24(17)20(18)25/h3-11,23H,1-2H3,(H,26,27)
InChIKey
ZDALXISWNWZXJM-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

391.11682 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12410 190.9
[M+Na]+ 414.10604 201.4
[M-H]- 390.10954 196.9
[M+NH4]+ 409.15064 199.3
[M+K]+ 430.07998 195.4
[M+H-H2O]+ 374.11408 180.5
[M+HCOO]- 436.11502 208.9
[M+CH3COO]- 450.13067 200.7
[M+Na-2H]- 412.09149 192.6
[M]+ 391.11627 195.7
[M]- 391.11737 195.7
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