CID 53790

Vufb-14129

Structural Information

Molecular Formula
C22H26F2N2
SMILES
C1CCN(C1)CCN2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H26F2N2/c23-18-7-5-17(6-8-18)20-4-3-13-26(15-14-25-11-1-2-12-25)22-16-19(24)9-10-21(20)22/h5-10,16,20H,1-4,11-15H2
InChIKey
NYKFEGWFBYXCJF-UHFFFAOYSA-N
Compound name
8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.2064 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21368 184.5
[M+Na]+ 379.19562 189.2
[M-H]- 355.19912 189.8
[M+NH4]+ 374.24022 196.3
[M+K]+ 395.16956 185.3
[M+H-H2O]+ 339.20366 173.0
[M+HCOO]- 401.20460 197.3
[M+CH3COO]- 415.22025 192.3
[M+Na-2H]- 377.18107 182.2
[M]+ 356.20585 175.3
[M]- 356.20695 175.3
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

patents stripe