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 162.4
[M+Na]+ 287.12670 172.7
[M-H]- 263.13020 165.8
[M+NH4]+ 282.17130 177.3
[M+K]+ 303.10064 166.0
[M+H-H2O]+ 247.13474 151.6
[M+HCOO]- 309.13568 179.4
[M+CH3COO]- 323.15133 173.5
[M+Na-2H]- 285.11215 168.7
[M]+ 264.13693 162.0
[M]- 264.13803 162.0
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.