CID 3767614

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

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C17H18N4O3/c1-4-12-15-14(10-6-5-9(22-2)7-13(10)23-3)11(8-18)16(19)24-17(15)21-20-12/h5-7,14H,4,19H2,1-3H3,(H,20,21)
InChIKey
WTYKZVZCMOKBKZ-UHFFFAOYSA-N
Compound name
6-amino-4-(2,4-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13788 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.145156 176.3
[M+Na]+ 349.127098 187.4
[M-H]- 325.130604 179.0
[M+NH4]+ 344.171703 186.9
[M+K]+ 365.101038 182.0
[M+H-H2O]+ 309.135140 161.0
[M+HCOO]- 371.136081 191.0
[M+CH3COO]- 385.151731 220.2
[M+Na-2H]- 347.112546 177.1
[M]+ 326.13733142 173.4
[M]- 326.13842858 173.4
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.