CID 11440398

Syv9ly41gy

Structural Information

Molecular Formula
C20H20N4O2S
SMILES
CCC1=NC2=C(N1CC3=CC=C(C=C3)C4C(=O)NC(=O)S4)N=C(C=C2C)C
InChI
InChI=1S/C20H20N4O2S/c1-4-15-22-16-11(2)9-12(3)21-18(16)24(15)10-13-5-7-14(8-6-13)17-19(25)23-20(26)27-17/h5-9,17H,4,10H2,1-3H3,(H,23,25,26)
InChIKey
SHMWYOSAUIFYAB-UHFFFAOYSA-N
Compound name
5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

380.1307 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13798 192.5
[M+Na]+ 403.11992 204.9
[M-H]- 379.12342 199.0
[M+NH4]+ 398.16452 204.6
[M+K]+ 419.09386 197.1
[M+H-H2O]+ 363.12796 184.5
[M+HCOO]- 425.12890 205.5
[M+CH3COO]- 439.14455 202.7
[M+Na-2H]- 401.10537 187.6
[M]+ 380.13015 197.3
[M]- 380.13125 197.3
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

patents stripe