CID 4246374

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

Structural Information

Molecular Formula
C21H17BrN4O2
SMILES
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3OC)C4=CC=C(C=C4)Br
InChI
InChI=1S/C21H17BrN4O2/c1-12-18-19(15-5-3-4-6-17(15)27-2)16(11-23)20(24)28-21(18)26(25-12)14-9-7-13(22)8-10-14/h3-10,19H,24H2,1-2H3
InChIKey
VLXYRHZQLLORPQ-UHFFFAOYSA-N
Compound name
6-amino-1-(4-bromophenyl)-4-(2-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.0535 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.06078 200.4
[M+Na]+ 459.04272 206.2
[M+NH4]+ 454.08732 201.3
[M+K]+ 475.01666 202.5
[M-H]- 435.04622 198.7
[M+Na-2H]- 457.02817 200.9
[M]+ 436.05295 199.2
[M]- 436.05405 199.2
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.