CID 3156164

378200-40-9

Structural Information

Molecular Formula
C15H13ClN4O
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN4O/c1-2-11-13-12(8-3-5-9(16)6-4-8)10(7-17)14(18)21-15(13)20-19-11/h3-6,12H,2,18H2,1H3,(H,19,20)
InChIKey
RMLPERGEBFIADD-UHFFFAOYSA-N
Compound name
6-amino-4-(4-chlorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.0778 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08508 171.4
[M+Na]+ 323.06702 183.8
[M-H]- 299.07052 173.7
[M+NH4]+ 318.11162 183.7
[M+K]+ 339.04096 175.7
[M+H-H2O]+ 283.07506 156.8
[M+HCOO]- 345.07600 182.1
[M+CH3COO]- 359.09165 180.6
[M+Na-2H]- 321.05247 172.8
[M]+ 300.07725 166.8
[M]- 300.07835 166.8
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.