CID 4025601

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

Structural Information

Molecular Formula
C16H15BrN4O
SMILES
CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)Br
InChI
InChI=1S/C16H15BrN4O/c1-2-4-12-14-13(9-5-3-6-10(17)7-9)11(8-18)15(19)22-16(14)21-20-12/h3,5-7,13H,2,4,19H2,1H3,(H,20,21)
InChIKey
WJAMSYBZCKTUMW-UHFFFAOYSA-N
Compound name
6-amino-4-(3-bromophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0429 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05018 175.5
[M+Na]+ 381.03212 189.0
[M-H]- 357.03562 178.9
[M+NH4]+ 376.07672 188.2
[M+K]+ 397.00606 174.7
[M+H-H2O]+ 341.04016 166.0
[M+HCOO]- 403.04110 190.2
[M+CH3COO]- 417.05675 185.6
[M+Na-2H]- 379.01757 177.9
[M]+ 358.04235 186.2
[M]- 358.04345 186.2
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.