CID 653607

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

Structural Information

Molecular Formula
C14H13N5O
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=NC=C3
InChI
InChI=1S/C14H13N5O/c1-2-10-12-11(8-3-5-17-6-4-8)9(7-15)13(16)20-14(12)19-18-10/h3-6,11H,2,16H2,1H3,(H,18,19)
InChIKey
SRMICTKQFGJSHB-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

267.112 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11928 161.2
[M+Na]+ 290.10122 172.1
[M-H]- 266.10472 162.1
[M+NH4]+ 285.14582 172.3
[M+K]+ 306.07516 165.8
[M+H-H2O]+ 250.10926 145.1
[M+HCOO]- 312.11020 175.2
[M+CH3COO]- 326.12585 170.3
[M+Na-2H]- 288.08667 164.4
[M]+ 267.11145 154.5
[M]- 267.11255 154.5
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.