CID 651013

6-amino-3-methyl-4-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C15H14N4O
SMILES
CC1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N
InChI
InChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)13-11(7-16)14(17)20-15-12(13)9(2)18-19-15/h3-6,13H,17H2,1-2H3,(H,18,19)
InChIKey
TZQYCHJMTHOIRS-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

266.11676 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 165.5
[M+Na]+ 289.10598 178.4
[M+NH4]+ 284.15058 169.6
[M+K]+ 305.07992 170.5
[M-H]- 265.10948 162.5
[M+Na-2H]- 287.09143 167.9
[M]+ 266.11621 165.6
[M]- 266.11731 165.6
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

patents stripe