CID 2814249

444790-63-0

Structural Information

Molecular Formula
C15H14N4O
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3
InChI
InChI=1S/C15H14N4O/c1-2-11-13-12(9-6-4-3-5-7-9)10(8-16)14(17)20-15(13)19-18-11/h3-7,12H,2,17H2,1H3,(H,18,19)
InChIKey
TZUGUQOTYBGUNV-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11676 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 163.0
[M+Na]+ 289.105978 173.9
[M-H]- 265.109484 165.3
[M+NH4]+ 284.150583 175.5
[M+K]+ 305.079918 167.2
[M+H-H2O]+ 249.114020 147.8
[M+HCOO]- 311.114961 178.0
[M+CH3COO]- 325.130611 172.4
[M+Na-2H]- 287.091426 165.8
[M]+ 266.11621142 156.3
[M]- 266.11730858 156.3
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.