CID 61312723

2-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

Structural Information

Molecular Formula
C14H16N4
SMILES
CC1=NN=C(C=C1)N2CCC3=C(C2)C=CC=C3N
InChI
InChI=1S/C14H16N4/c1-10-5-6-14(17-16-10)18-8-7-12-11(9-18)3-2-4-13(12)15/h2-6H,7-9,15H2,1H3
InChIKey
BSFZIZJOJZLHHY-UHFFFAOYSA-N
Compound name
2-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1375 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14478 157.0
[M+Na]+ 263.12672 165.1
[M-H]- 239.13022 159.9
[M+NH4]+ 258.17132 171.0
[M+K]+ 279.10066 159.5
[M+H-H2O]+ 223.13476 147.0
[M+HCOO]- 285.13570 174.6
[M+CH3COO]- 299.15135 167.7
[M+Na-2H]- 261.11217 163.5
[M]+ 240.13695 153.0
[M]- 240.13805 153.0
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.