CID 3921946

401590-09-8

Structural Information

Molecular Formula
C23H22N4O
SMILES
CCCC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C23H22N4O/c1-3-7-19-21-20(16-12-10-15(2)11-13-16)18(14-24)22(25)28-23(21)27(26-19)17-8-5-4-6-9-17/h4-6,8-13,20H,3,7,25H2,1-2H3
InChIKey
AXRAPCYJTSXUOM-UHFFFAOYSA-N
Compound name
6-amino-4-(4-methylphenyl)-1-phenyl-3-propyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.17935 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18663 195.6
[M+Na]+ 393.16857 210.4
[M+NH4]+ 388.21317 199.8
[M+K]+ 409.14251 200.1
[M-H]- 369.17207 195.4
[M+Na-2H]- 391.15402 199.7
[M]+ 370.17880 197.0
[M]- 370.17990 197.0
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.