CID 16750094

5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide

Structural Information

Molecular Formula
C22H20N4O2
SMILES
CN(C)C(=O)C1=CN=CC(=C1)C2=CC3=C(NC=C3C4=CC=CC=C4OC)N=C2
InChI
InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)
InChIKey
GYQRHHQPEMOLKH-UHFFFAOYSA-N
Compound name
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

372.15863 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 189.7
[M+Na]+ 395.14785 198.3
[M-H]- 371.15135 197.5
[M+NH4]+ 390.19245 199.9
[M+K]+ 411.12179 192.4
[M+H-H2O]+ 355.15589 178.4
[M+HCOO]- 417.15683 209.9
[M+CH3COO]- 431.17248 199.7
[M+Na-2H]- 393.13330 192.6
[M]+ 372.15808 193.0
[M]- 372.15918 193.0
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