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 186.4
[M+Na]+ 393.17196 189.1
[M-H]- 369.17546 191.2
[M+NH4]+ 388.21656 194.8
[M+K]+ 409.14590 182.3
[M+H-H2O]+ 353.18000 175.6
[M+HCOO]- 415.18094 199.0
[M+CH3COO]- 429.19659 193.4
[M+Na-2H]- 391.15741 186.6
[M]+ 370.18219 182.4
[M]- 370.18329 182.4
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.