CID 131906

135722-25-7

Structural Information

Molecular Formula
C24H26FN3O2
SMILES
COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1
InChI
InChI=1S/C24H26FN3O2/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)
InChIKey
IFMQODYDAUKKEN-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

27
Patents

407.2009 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.20818 200.1
[M+Na]+ 430.19012 204.2
[M-H]- 406.19362 205.1
[M+NH4]+ 425.23472 207.7
[M+K]+ 446.16406 197.5
[M+H-H2O]+ 390.19816 186.7
[M+HCOO]- 452.19910 214.2
[M+CH3COO]- 466.21475 206.8
[M+Na-2H]- 428.17557 201.2
[M]+ 407.20035 196.3
[M]- 407.20145 196.3
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