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 189.7
[M+Na]+ 407.13998 198.3
[M-H]- 383.14348 193.2
[M+NH4]+ 402.18458 202.3
[M+K]+ 423.11392 191.5
[M+H-H2O]+ 367.14802 181.8
[M+HCOO]- 429.14896 200.7
[M+CH3COO]- 443.16461 198.7
[M+Na-2H]- 405.12543 190.1
[M]+ 384.15021 194.3
[M]- 384.15131 194.3
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.