CID 53798

Vufb-14042

Structural Information

Molecular Formula
C23H29F2N3
SMILES
CN1CCN(CC1)CCN2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H29F2N3/c1-26-11-13-27(14-12-26)15-16-28-10-2-3-21(18-4-6-19(24)7-5-18)22-9-8-20(25)17-23(22)28/h4-9,17,21H,2-3,10-16H2,1H3
InChIKey
HDRUYYQBBNODRB-UHFFFAOYSA-N
Compound name
8-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.23294 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.24022 194.9
[M+Na]+ 408.22216 199.3
[M-H]- 384.22566 198.2
[M+NH4]+ 403.26676 202.5
[M+K]+ 424.19610 195.5
[M+H-H2O]+ 368.23020 181.1
[M+HCOO]- 430.23114 203.7
[M+CH3COO]- 444.24679 200.9
[M+Na-2H]- 406.20761 193.1
[M]+ 385.23239 184.7
[M]- 385.23349 184.7
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