CID 3063046

3h-pyrazolo(3,4-c)isoquinoline, 6,7,8,9-tetrahydro-1,3-diphenyl-

Structural Information

Molecular Formula
C22H19N3
SMILES
C1CCC2=C3C(=NN(C3=NC=C2C1)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H19N3/c1-3-9-16(10-4-1)21-20-19-14-8-7-11-17(19)15-23-22(20)25(24-21)18-12-5-2-6-13-18/h1-6,9-10,12-13,15H,7-8,11,14H2
InChIKey
UCSAZSRSKOESJJ-UHFFFAOYSA-N
Compound name
1,3-diphenyl-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1579 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16518 178.4
[M+Na]+ 348.14712 187.0
[M-H]- 324.15062 185.6
[M+NH4]+ 343.19172 191.3
[M+K]+ 364.12106 178.6
[M+H-H2O]+ 308.15516 166.3
[M+HCOO]- 370.15610 195.7
[M+CH3COO]- 384.17175 188.3
[M+Na-2H]- 346.13257 183.5
[M]+ 325.15735 176.5
[M]- 325.15845 176.5
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.