CID 3141762

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

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H14N4O2/c1-2-11-13-12(8-3-5-9(20)6-4-8)10(7-16)14(17)21-15(13)19-18-11/h3-6,12,20H,2,17H2,1H3,(H,18,19)
InChIKey
RYEGTMJIWLVIJY-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.11166 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 168.9
[M+Na]+ 305.10088 180.8
[M+NH4]+ 300.14548 172.1
[M+K]+ 321.07482 173.6
[M-H]- 281.10438 164.9
[M+Na-2H]- 303.08633 170.3
[M]+ 282.11111 168.5
[M]- 282.11221 168.5
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.