CID 3155421

300389-76-8

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3
InChI
InChI=1S/C17H18N4O/c1-17(2,3)14-13-12(10-7-5-4-6-8-10)11(9-18)15(19)22-16(13)21-20-14/h4-8,12H,19H2,1-3H3,(H,20,21)
InChIKey
XEVFPPWWORQUPK-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-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

294.14807 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 174.1
[M+Na]+ 317.13729 185.9
[M+NH4]+ 312.18189 177.6
[M+K]+ 333.11123 178.5
[M-H]- 293.14079 170.4
[M+Na-2H]- 315.12274 176.1
[M]+ 294.14752 173.9
[M]- 294.14862 173.9
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.