CID 2860996

300587-59-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
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]+ 325.165906 182.5
[M+Na]+ 347.147848 192.9
[M-H]- 323.151354 185.0
[M+NH4]+ 342.192453 193.1
[M+K]+ 363.121788 187.2
[M+H-H2O]+ 307.155890 167.6
[M+HCOO]- 369.156831 195.2
[M+CH3COO]- 383.172481 219.5
[M+Na-2H]- 345.133296 183.9
[M]+ 324.15808142 177.6
[M]- 324.15917858 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.