CID 16119086

Pf-03654746

Structural Information

Molecular Formula
C18H24F2N2O
SMILES
CCNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F
InChI
InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)
InChIKey
SXMBKHYDZOCBMT-UHFFFAOYSA-N
Compound name
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

142
Patents

322.18567 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19295 176.7
[M+Na]+ 345.17489 180.5
[M-H]- 321.17839 181.7
[M+NH4]+ 340.21949 186.4
[M+K]+ 361.14883 178.9
[M+H-H2O]+ 305.18293 162.0
[M+HCOO]- 367.18387 192.8
[M+CH3COO]- 381.19952 212.5
[M+Na-2H]- 343.16034 174.5
[M]+ 322.18512 180.0
[M]- 322.18622 180.0
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