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 171.1
[M+Na]+ 386.98855 187.5
[M-H]- 362.99205 176.4
[M+NH4]+ 382.03315 186.7
[M+K]+ 402.96249 173.9
[M+H-H2O]+ 346.99659 163.6
[M+HCOO]- 408.99753 184.7
[M+CH3COO]- 423.01318 182.9
[M+Na-2H]- 384.97400 171.7
[M]+ 363.99878 185.8
[M]- 363.99988 185.8
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.