CID 157049314

Dyrk2 inhibitor c17

Structural Information

Molecular Formula
C21H24N2O3S
SMILES
COC1=CC2=C(C3=CC(=CC(=C3N=C2C=C1)CO)OC)SC[C@H]4CCNC4
InChI
InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1
InChIKey
PBGPFWACZLCJFH-ZDUSSCGKSA-N
Compound name
[2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.15076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15804 190.9
[M+Na]+ 407.13998 204.8
[M+NH4]+ 402.18458 198.9
[M+K]+ 423.11392 196.5
[M-H]- 383.14348 194.4
[M+Na-2H]- 405.12543 195.7
[M]+ 384.15021 194.4
[M]- 384.15131 194.4
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.