CID 13526640

96825-97-7

Structural Information

Molecular Formula
C16H16N4
SMILES
CC1=CC2=C(C3=CC=CC=C3C(=N2)N4CCCC4)N=N1
InChI
InChI=1S/C16H16N4/c1-11-10-14-15(19-18-11)12-6-2-3-7-13(12)16(17-14)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKey
YPWBXHJHCRFZQE-UHFFFAOYSA-N
Compound name
3-methyl-6-pyrrolidin-1-ylpyridazino[4,3-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.13748 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14476 161.6
[M+Na]+ 287.12670 178.5
[M+NH4]+ 282.17130 170.8
[M+K]+ 303.10064 171.3
[M-H]- 263.13020 165.7
[M+Na-2H]- 285.11215 170.1
[M]+ 264.13693 165.4
[M]- 264.13803 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.