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

literature stripe

Patent stripe

patents stripe