CID 5289514

Cp-808844

Structural Information

Molecular Formula
C18H15FN4O
SMILES
CC(C)C1=NN=C2N1C=C(C=C2)C3=C(N=CO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
InChIKey
OVCXRBARSPBVMC-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

6953
Patents

322.123 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13028 173.8
[M+Na]+ 345.11222 185.6
[M-H]- 321.11572 180.4
[M+NH4]+ 340.15682 185.9
[M+K]+ 361.08616 180.5
[M+H-H2O]+ 305.12026 162.9
[M+HCOO]- 367.12120 192.7
[M+CH3COO]- 381.13685 185.4
[M+Na-2H]- 343.09767 175.2
[M]+ 322.12245 177.5
[M]- 322.12355 177.5
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