CID 39866

51024-63-6

Structural Information

Molecular Formula
C17H17FN2O
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C17H17FN2O/c1-20-10-9-13-12(11-20)5-4-8-16(13)19-17(21)14-6-2-3-7-15(14)18/h2-8H,9-11H2,1H3,(H,19,21)
InChIKey
ZDBCYZWCAHFMEH-UHFFFAOYSA-N
Compound name
2-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.13248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13976 165.1
[M+Na]+ 307.12170 171.7
[M-H]- 283.12520 169.5
[M+NH4]+ 302.16630 180.0
[M+K]+ 323.09564 166.5
[M+H-H2O]+ 267.12974 155.3
[M+HCOO]- 329.13068 183.3
[M+CH3COO]- 343.14633 175.5
[M+Na-2H]- 305.10715 169.2
[M]+ 284.13193 161.0
[M]- 284.13303 161.0
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

patents stripe