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]+ 371.17138 186.5
[M+Na]+ 393.15332 197.1
[M-H]- 369.15682 189.2
[M+NH4]+ 388.19792 195.6
[M+K]+ 409.12726 192.3
[M+H-H2O]+ 353.16136 171.0
[M+HCOO]- 415.16230 200.6
[M+CH3COO]- 429.17795 228.7
[M+Na-2H]- 391.13877 185.9
[M]+ 370.16355 185.8
[M]- 370.16465 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.