CID 3156357

6-amino-4-(5-bromo-2-thienyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C14H13BrN4OS
SMILES
CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(S3)Br
InChI
InChI=1S/C14H13BrN4OS/c1-2-3-8-12-11(9-4-5-10(15)21-9)7(6-16)13(17)20-14(12)19-18-8/h4-5,11H,2-3,17H2,1H3,(H,18,19)
InChIKey
GPPPTUIUUOLGBN-UHFFFAOYSA-N
Compound name
6-amino-4-(5-bromothiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

363.99933 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00661 170.1
[M+Na]+ 386.98855 173.3
[M+NH4]+ 382.03315 171.5
[M+K]+ 402.96249 171.4
[M-H]- 362.99205 166.0
[M+Na-2H]- 384.97400 169.2
[M]+ 363.99878 168.0
[M]- 363.99988 168.0
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.