CID 121280694

1900676-88-1

Structural Information

Molecular Formula
C24H19N7O
SMILES
CC1=NC=CC(=C1)C2=NC=CC3=C2C=CN3CC(=O)NC4=NC=C(C=C4)C5=NC=CN=C5
InChI
InChI=1S/C24H19N7O/c1-16-12-17(4-7-26-16)24-19-6-11-31(21(19)5-8-28-24)15-23(32)30-22-3-2-18(13-29-22)20-14-25-9-10-27-20/h2-14H,15H2,1H3,(H,29,30,32)
InChIKey
YVOZGOROCRQXLJ-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpyridin-4-yl)pyrrolo[3,2-c]pyridin-1-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

421.1651 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17238 202.1
[M+Na]+ 444.15432 211.3
[M-H]- 420.15782 208.8
[M+NH4]+ 439.19892 205.3
[M+K]+ 460.12826 201.6
[M+H-H2O]+ 404.16236 187.6
[M+HCOO]- 466.16330 218.8
[M+CH3COO]- 480.17895 209.6
[M+Na-2H]- 442.13977 207.3
[M]+ 421.16455 203.5
[M]- 421.16565 203.5
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

patents stripe