CID 71766360

Etc-206

Structural Information

Molecular Formula
C25H20N4O2
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)C3=CN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3
InChI
InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
InChIKey
FWRFPHJSGLYXTD-UHFFFAOYSA-N
Compound name
4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

51
Patents

408.15863 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16591 200.0
[M+Na]+ 431.14785 209.3
[M-H]- 407.15135 205.6
[M+NH4]+ 426.19245 205.0
[M+K]+ 447.12179 199.1
[M+H-H2O]+ 391.15589 180.3
[M+HCOO]- 453.15683 211.1
[M+CH3COO]- 467.17248 206.1
[M+Na-2H]- 429.13330 199.6
[M]+ 408.15808 192.8
[M]- 408.15918 192.8
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