CID 58212050

Liafensine

Structural Information

Molecular Formula
C24H22N4
SMILES
CN1C[C@H](C2=C(C1)C=C(C=C2)C3=NN=C(C=C3)N)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C24H22N4/c1-28-14-20-13-19(23-10-11-24(25)27-26-23)8-9-21(20)22(15-28)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,22H,14-15H2,1H3,(H2,25,27)/t22-/m0/s1
InChIKey
VCIBGDSRPUOBOG-QFIPXVFZSA-N
Compound name
6-[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

55
Patents

366.18445 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19173 192.8
[M+Na]+ 389.17367 200.5
[M-H]- 365.17717 199.0
[M+NH4]+ 384.21827 201.8
[M+K]+ 405.14761 191.3
[M+H-H2O]+ 349.18171 179.5
[M+HCOO]- 411.18265 207.3
[M+CH3COO]- 425.19830 200.7
[M+Na-2H]- 387.15912 197.6
[M]+ 366.18390 188.5
[M]- 366.18500 188.5
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

patents stripe