CID 3715538

377052-95-4

Structural Information

Molecular Formula
C15H12Cl2N4O
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N4O/c1-2-11-13-12(8-4-3-7(16)5-10(8)17)9(6-18)14(19)22-15(13)21-20-11/h3-5,12H,2,19H2,1H3,(H,20,21)
InChIKey
MUCFUPOYNXWFST-UHFFFAOYSA-N
Compound name
6-amino-4-(2,4-dichlorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.03882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.04610 178.7
[M+Na]+ 357.02804 192.2
[M-H]- 333.03154 180.7
[M+NH4]+ 352.07264 190.4
[M+K]+ 373.00198 183.2
[M+H-H2O]+ 317.03608 164.9
[M+HCOO]- 379.03702 184.8
[M+CH3COO]- 393.05267 187.4
[M+Na-2H]- 355.01349 178.7
[M]+ 334.03827 175.6
[M]- 334.03937 175.6
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.