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]+ 297.134596 169.8
[M+Na]+ 319.116538 180.8
[M-H]- 295.120044 172.3
[M+NH4]+ 314.161143 181.3
[M+K]+ 335.090478 174.7
[M+H-H2O]+ 279.124580 154.5
[M+HCOO]- 341.125521 184.6
[M+CH3COO]- 355.141171 179.0
[M+Na-2H]- 317.101986 171.6
[M]+ 296.12677142 164.9
[M]- 296.12786858 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.