CID 3088784

Brn 5630365

Structural Information

Molecular Formula
C20H26N4OS
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)NC(=S)N)C3=CC=CC=C3
InChI
InChI=1S/C20H26N4OS/c21-20(26)22-17-7-9-19(10-8-17)25-16-4-11-23-12-14-24(15-13-23)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H3,21,22,26)
InChIKey
NONZODOZIHNIQD-UHFFFAOYSA-N
Compound name
[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18274 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19002 186.6
[M+Na]+ 393.17196 197.6
[M+NH4]+ 388.21656 193.8
[M+K]+ 409.14590 188.0
[M-H]- 369.17546 192.7
[M+Na-2H]- 391.15741 194.7
[M]+ 370.18219 190.2
[M]- 370.18329 190.2
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.