CID 3141759

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

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C17H18N4O3/c1-4-12-15-14(10-7-9(22-2)5-6-13(10)23-3)11(8-18)16(19)24-17(15)21-20-12/h5-7,14H,4,19H2,1-3H3,(H,20,21)
InChIKey
AXFHMAWMXYZDMM-UHFFFAOYSA-N
Compound name
6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.13788 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14516 178.7
[M+Na]+ 349.12710 190.6
[M+NH4]+ 344.17170 181.4
[M+K]+ 365.10104 183.5
[M-H]- 325.13060 174.8
[M+Na-2H]- 347.11255 179.6
[M]+ 326.13733 178.4
[M]- 326.13843 178.4
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

No patent data available for this compound.