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]+ 267.12404 166.2
[M+Na]+ 289.10598 178.8
[M+NH4]+ 284.15058 170.2
[M+K]+ 305.07992 170.6
[M-H]- 265.10948 163.1
[M+Na-2H]- 287.09143 168.7
[M]+ 266.11621 166.2
[M]- 266.11731 166.2
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.