CID 3504940

377049-89-3

Structural Information

Molecular Formula
C15H14N4O3
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H14N4O3/c1-2-9-13-12(7-3-4-10(20)11(21)5-7)8(6-16)14(17)22-15(13)19-18-9/h3-5,12,20-21H,2,17H2,1H3,(H,18,19)
InChIKey
XWEIUABTJGEDGF-UHFFFAOYSA-N
Compound name
6-amino-4-(3,4-dihydroxyphenyl)-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

298.1066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11388 171.2
[M+Na]+ 321.09582 182.3
[M-H]- 297.09932 171.9
[M+NH4]+ 316.14042 181.6
[M+K]+ 337.06976 176.0
[M+H-H2O]+ 281.10386 156.8
[M+HCOO]- 343.10480 183.7
[M+CH3COO]- 357.12045 179.6
[M+Na-2H]- 319.08127 172.0
[M]+ 298.10605 164.5
[M]- 298.10715 164.5
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.