CID 9865843

T-226296

Structural Information

Molecular Formula
C26H27FN2O
SMILES
CN(C)CC1CCC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
InChIKey
GXAQELJVODWLDD-UHFFFAOYSA-N
Compound name
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

67
Patents

402.21075 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21803 201.2
[M+Na]+ 425.19997 214.8
[M+NH4]+ 420.24457 209.4
[M+K]+ 441.17391 205.0
[M-H]- 401.20347 208.8
[M+Na-2H]- 423.18542 210.2
[M]+ 402.21020 205.3
[M]- 402.21130 205.3
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