CID 5279937

1-(4,7-dimethoxy-1h-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(4-phenylthiazol-2-yl)methylene]-1-piperidyl]ethane-1,2-dione

Structural Information

Molecular Formula
C26H24N4O4S
SMILES
COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCC(=CC4=NC(=CS4)C5=CC=CC=C5)CC3)OC
InChI
InChI=1S/C26H24N4O4S/c1-33-20-14-28-25(34-2)23-22(20)18(13-27-23)24(31)26(32)30-10-8-16(9-11-30)12-21-29-19(15-35-21)17-6-4-3-5-7-17/h3-7,12-15,27H,8-11H2,1-2H3
InChIKey
KJNUSYVCWXAXBY-UHFFFAOYSA-N
Compound name
1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methylidene]piperidin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

488.15182 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15910 215.6
[M+Na]+ 511.14104 222.5
[M-H]- 487.14454 223.9
[M+NH4]+ 506.18564 221.5
[M+K]+ 527.11498 215.8
[M+H-H2O]+ 471.14908 206.0
[M+HCOO]- 533.15002 225.1
[M+CH3COO]- 547.16567 222.4
[M+Na-2H]- 509.12649 209.7
[M]+ 488.15127 218.2
[M]- 488.15237 218.2
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.