CID 53784

Vufb-14063

Structural Information

Molecular Formula
C22H26F2N2O
SMILES
CCN(CC)CC(=O)N1CCCC(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H26F2N2O/c1-3-25(4-2)15-22(27)26-13-5-6-19(16-7-9-17(23)10-8-16)20-12-11-18(24)14-21(20)26/h7-12,14,19H,3-6,13,15H2,1-2H3
InChIKey
AJRXYMLXYOEQFQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.20132 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20860 185.4
[M+Na]+ 395.19054 189.9
[M-H]- 371.19404 190.7
[M+NH4]+ 390.23514 197.0
[M+K]+ 411.16448 189.8
[M+H-H2O]+ 355.19858 175.4
[M+HCOO]- 417.19952 201.1
[M+CH3COO]- 431.21517 225.5
[M+Na-2H]- 393.17599 184.9
[M]+ 372.20077 180.8
[M]- 372.20187 180.8
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