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]+ 357.15575 182.7
[M+Na]+ 379.13769 193.7
[M-H]- 355.14119 185.5
[M+NH4]+ 374.18229 192.3
[M+K]+ 395.11163 189.1
[M+H-H2O]+ 339.14573 167.3
[M+HCOO]- 401.14667 197.1
[M+CH3COO]- 415.16232 226.1
[M+Na-2H]- 377.12314 182.6
[M]+ 356.14792 181.6
[M]- 356.14902 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.