CID 60168069

Auglurant

Structural Information

Molecular Formula
C16H12FN5O2
SMILES
CC1=CC(=CC(=N1)C(=O)NC2=NC=C(C=C2)F)OC3=CN=CN=C3
InChI
InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
InChIKey
RBAHIIPVJVMACF-UHFFFAOYSA-N
Compound name
N-(5-fluoropyridin-2-yl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

28
Patents

325.0975 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10478 174.8
[M+Na]+ 348.08672 183.6
[M-H]- 324.09022 178.3
[M+NH4]+ 343.13132 182.3
[M+K]+ 364.06066 177.5
[M+H-H2O]+ 308.09476 161.7
[M+HCOO]- 370.09570 193.6
[M+CH3COO]- 384.11135 184.3
[M+Na-2H]- 346.07217 181.1
[M]+ 325.09695 174.5
[M]- 325.09805 174.5
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