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 163.0
[M+Na]+ 289.10598 173.9
[M-H]- 265.10948 165.3
[M+NH4]+ 284.15058 175.5
[M+K]+ 305.07992 167.2
[M+H-H2O]+ 249.11402 147.8
[M+HCOO]- 311.11496 178.0
[M+CH3COO]- 325.13061 172.4
[M+Na-2H]- 287.09143 165.8
[M]+ 266.11621 156.3
[M]- 266.11731 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.