CID 11198924

Adipiplon

Structural Information

Molecular Formula
C18H18FN7
SMILES
CCCC1=C(N=CN2C1=NC(=N2)C)CN3C=CN=C3C4=C(C=CC=N4)F
InChI
InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKey
UAMAIHOEGLEXSV-UHFFFAOYSA-N
Compound name
7-[[2-(3-fluoropyridin-2-yl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

56
Patents

351.16077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16805 185.0
[M+Na]+ 374.14999 197.9
[M-H]- 350.15349 187.3
[M+NH4]+ 369.19459 193.4
[M+K]+ 390.12393 189.5
[M+H-H2O]+ 334.15803 171.8
[M+HCOO]- 396.15897 201.1
[M+CH3COO]- 410.17462 194.5
[M+Na-2H]- 372.13544 185.8
[M]+ 351.16022 189.0
[M]- 351.16132 189.0
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