CID 3141759

364381-62-4

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C17H18N4O3/c1-4-12-15-14(10-7-9(22-2)5-6-13(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
AXFHMAWMXYZDMM-UHFFFAOYSA-N
Compound name
6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 327.14516 176.3
[M+Na]+ 349.12710 187.4
[M-H]- 325.13060 179.0
[M+NH4]+ 344.17170 186.9
[M+K]+ 365.10104 182.0
[M+H-H2O]+ 309.13514 161.0
[M+HCOO]- 371.13608 191.0
[M+CH3COO]- 385.15173 220.2
[M+Na-2H]- 347.11255 177.1
[M]+ 326.13733 173.4
[M]- 326.13843 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

literature stripe

Patent stripe

No patent data available for this compound.