CID 651698

89607-39-6

Structural Information

Molecular Formula
C14H11ClN4O
SMILES
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN4O/c1-7-11-12(8-2-4-9(15)5-3-8)10(6-16)13(17)20-14(11)19-18-7/h2-5,12H,17H2,1H3,(H,18,19)
InChIKey
LFMRJDCCWCMETI-UHFFFAOYSA-N
Compound name
6-amino-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

286.06213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06941 167.5
[M+Na]+ 309.05135 180.3
[M-H]- 285.05485 170.0
[M+NH4]+ 304.09595 180.3
[M+K]+ 325.02529 172.4
[M+H-H2O]+ 269.05939 153.1
[M+HCOO]- 331.06033 178.5
[M+CH3COO]- 345.07598 177.1
[M+Na-2H]- 307.03680 169.4
[M]+ 286.06158 162.7
[M]- 286.06268 162.7
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.