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 172.5
[M+Na]+ 319.11654 184.7
[M+NH4]+ 314.16114 175.8
[M+K]+ 335.09048 177.0
[M-H]- 295.12004 168.9
[M+Na-2H]- 317.10199 174.2
[M]+ 296.12677 172.3
[M]- 296.12787 172.3
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.

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No patent data available for this compound.