CID 2861737

352662-77-2

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC
InChI
InChI=1S/C18H20N4O2/c1-18(2,3)15-14-13(10-7-5-6-8-12(10)23-4)11(9-19)16(20)24-17(14)22-21-15/h5-8,13H,20H2,1-4H3,(H,21,22)
InChIKey
PKDGUQTVEJBFLT-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.15863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 182.5
[M+Na]+ 347.14785 192.9
[M-H]- 323.15135 185.0
[M+NH4]+ 342.19245 193.1
[M+K]+ 363.12179 187.2
[M+H-H2O]+ 307.15589 167.6
[M+HCOO]- 369.15683 195.2
[M+CH3COO]- 383.17248 219.5
[M+Na-2H]- 345.13330 183.9
[M]+ 324.15808 177.6
[M]- 324.15918 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.