CID 24844334

91623-82-4

Structural Information

Molecular Formula
C19H21N3
SMILES
CC1=NN(C2=C1C3=C(CCCC3)C(=N2)CC4=CC=CC=C4)C
InChI
InChI=1S/C19H21N3/c1-13-18-16-11-7-6-10-15(16)17(20-19(18)22(2)21-13)12-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKey
VOWWNFVSYISLFM-UHFFFAOYSA-N
Compound name
5-benzyl-1,3-dimethyl-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17355 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 170.9
[M+Na]+ 314.16277 187.7
[M+NH4]+ 309.20737 180.4
[M+K]+ 330.13671 179.7
[M-H]- 290.16627 175.8
[M+Na-2H]- 312.14822 178.8
[M]+ 291.17300 174.9
[M]- 291.17410 174.9
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.