CID 1480558

6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C21H16N4O2
SMILES
COC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C#N)N=C2)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H16N4O2/c1-26-17-7-3-14(4-8-17)19-13-23-21-16(11-22)12-24-25(21)20(19)15-5-9-18(27-2)10-6-15/h3-10,12-13H,1-2H3
InChIKey
XDOGNJLDFNSERQ-UHFFFAOYSA-N
Compound name
6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

356.12732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13460 186.6
[M+Na]+ 379.11654 199.2
[M-H]- 355.12004 191.0
[M+NH4]+ 374.16114 196.0
[M+K]+ 395.09048 190.1
[M+H-H2O]+ 339.12458 168.3
[M+HCOO]- 401.12552 203.4
[M+CH3COO]- 415.14117 195.3
[M+Na-2H]- 377.10199 189.1
[M]+ 356.12677 185.6
[M]- 356.12787 185.6
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

patents stripe