CID 53786

Vufb-14126

Structural Information

Molecular Formula
C22H24F2N2O
SMILES
C1CCN(C1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24F2N2O/c23-17-7-5-16(6-8-17)19-4-3-13-26(21-14-18(24)9-10-20(19)21)22(27)15-25-11-1-2-12-25/h5-10,14,19H,1-4,11-13,15H2
InChIKey
GYMSCQAXVNEANR-UHFFFAOYSA-N
Compound name
1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18567 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19295 186.5
[M+Na]+ 393.17489 191.1
[M-H]- 369.17839 192.1
[M+NH4]+ 388.21949 197.6
[M+K]+ 409.14883 188.0
[M+H-H2O]+ 353.18293 175.3
[M+HCOO]- 415.18387 198.8
[M+CH3COO]- 429.19952 194.2
[M+Na-2H]- 391.16034 183.4
[M]+ 370.18512 177.5
[M]- 370.18622 177.5
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