CID 135600298

126743-86-0

Structural Information

Molecular Formula
C18H20FN5O2
SMILES
CN(C)CC1=NC2=C(C3CCCN3C(=O)N2C4=CC=C(C=C4)F)C(=O)N1
InChI
InChI=1S/C18H20FN5O2/c1-22(2)10-14-20-16-15(17(25)21-14)13-4-3-9-23(13)18(26)24(16)12-7-5-11(19)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,20,21,25)
InChIKey
KDRFJEVMGLBNHR-UHFFFAOYSA-N
Compound name
11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1601 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16738 184.8
[M+Na]+ 380.14932 196.6
[M+NH4]+ 375.19392 190.2
[M+K]+ 396.12326 192.3
[M-H]- 356.15282 185.6
[M+Na-2H]- 378.13477 187.7
[M]+ 357.15955 186.3
[M]- 357.16065 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.