CID 3141757

6-amino-3-ethyl-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC
InChI
InChI=1S/C16H16N4O2/c1-3-11-14-13(9-6-4-5-7-12(9)21-2)10(8-17)15(18)22-16(14)20-19-11/h4-7,13H,3,18H2,1-2H3,(H,19,20)
InChIKey
AMQRHIKFTHTJTE-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12732 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 169.8
[M+Na]+ 319.11654 180.8
[M-H]- 295.12004 172.3
[M+NH4]+ 314.16114 181.3
[M+K]+ 335.09048 174.7
[M+H-H2O]+ 279.12458 154.5
[M+HCOO]- 341.12552 184.6
[M+CH3COO]- 355.14117 179.0
[M+Na-2H]- 317.10199 171.6
[M]+ 296.12677 164.9
[M]- 296.12787 164.9
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.