CID 3070145

Brn 4606169

Structural Information

Molecular Formula
C26H29FN4OS
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C26H29FN4OS/c27-21-7-9-22(10-8-21)28-26(33)29-23-11-13-25(14-12-23)32-20-4-15-30-16-18-31(19-17-30)24-5-2-1-3-6-24/h1-3,5-14H,4,15-20H2,(H2,28,29,33)
InChIKey
GPHAVJXMJRCZHR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.20462 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21190 208.6
[M+Na]+ 487.19384 210.9
[M-H]- 463.19734 215.1
[M+NH4]+ 482.23844 212.9
[M+K]+ 503.16778 202.2
[M+H-H2O]+ 447.20188 195.1
[M+HCOO]- 509.20282 220.0
[M+CH3COO]- 523.21847 213.9
[M+Na-2H]- 485.17929 208.3
[M]+ 464.20407 204.2
[M]- 464.20517 204.2
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

No patent data available for this compound.