CID 3154757

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

Structural Information

Molecular Formula
C18H20N4O4
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C18H20N4O4/c1-5-11-15-14(10(8-19)17(20)26-18(15)22-21-11)9-6-12(23-2)16(25-4)13(7-9)24-3/h6-7,14H,5,20H2,1-4H3,(H,21,22)
InChIKey
NAXCKDUFWJOUNY-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-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

356.14847 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.155746 182.7
[M+Na]+ 379.137688 193.7
[M-H]- 355.141194 185.5
[M+NH4]+ 374.182293 192.3
[M+K]+ 395.111628 189.1
[M+H-H2O]+ 339.145730 167.3
[M+HCOO]- 401.146671 197.1
[M+CH3COO]- 415.162321 226.1
[M+Na-2H]- 377.123136 182.6
[M]+ 356.14792142 181.6
[M]- 356.14901858 181.6
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.