CID 3154879

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

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC)OCC
InChI
InChI=1S/C20H24N4O3/c1-4-7-14-18-17(13(11-21)19(22)27-20(18)24-23-14)12-8-9-15(25-5-2)16(10-12)26-6-3/h8-10,17H,4-7,22H2,1-3H3,(H,23,24)
InChIKey
AOWUFYIJGKPBSH-UHFFFAOYSA-N
Compound name
6-amino-4-(3,4-diethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 190.9
[M+Na]+ 391.17406 202.3
[M+NH4]+ 386.21866 193.2
[M+K]+ 407.14800 194.5
[M-H]- 367.17756 186.9
[M+Na-2H]- 389.15951 191.1
[M]+ 368.18429 190.4
[M]- 368.18539 190.4
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.