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]+ 241.144776 157.0
[M+Na]+ 263.126718 165.1
[M-H]- 239.130224 159.9
[M+NH4]+ 258.171323 171.0
[M+K]+ 279.100658 159.5
[M+H-H2O]+ 223.134760 147.0
[M+HCOO]- 285.135701 174.6
[M+CH3COO]- 299.151351 167.7
[M+Na-2H]- 261.112166 163.5
[M]+ 240.13695142 153.0
[M]- 240.13804858 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.