CID 326810

53316-57-7

Structural Information

Molecular Formula
C20H16N4O
SMILES
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22)25-20(17)24(23-13)15-10-6-3-7-11-15/h2-11,18H,22H2,1H3
InChIKey
PRYBIJAJECYWEP-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

23
Patents

328.13242 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.139696 181.9
[M+Na]+ 351.121638 193.4
[M-H]- 327.125144 187.5
[M+NH4]+ 346.166243 192.2
[M+K]+ 367.095578 184.8
[M+H-H2O]+ 311.129680 165.0
[M+HCOO]- 373.130621 197.5
[M+CH3COO]- 387.146271 190.7
[M+Na-2H]- 349.107086 183.4
[M]+ 328.13187142 176.0
[M]- 328.13296858 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe