CID 3154791

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

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H22N4O4/c1-5-6-12-16-15(11(9-20)18(21)27-19(16)23-22-12)10-7-13(24-2)17(26-4)14(8-10)25-3/h7-8,15H,5-6,21H2,1-4H3,(H,22,23)
InChIKey
UYUNBALQRCFOJG-UHFFFAOYSA-N
Compound name
6-amino-3-propyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1641 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.171376 186.5
[M+Na]+ 393.153318 197.1
[M-H]- 369.156824 189.2
[M+NH4]+ 388.197923 195.6
[M+K]+ 409.127258 192.3
[M+H-H2O]+ 353.161360 171.0
[M+HCOO]- 415.162301 200.6
[M+CH3COO]- 429.177951 228.7
[M+Na-2H]- 391.138766 185.9
[M]+ 370.16355142 185.8
[M]- 370.16464858 185.8
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.