CID 3070144

Brn 4596979

Structural Information

Molecular Formula
C26H30N4OS
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N4OS/c32-26(27-22-8-3-1-4-9-22)28-23-12-14-25(15-13-23)31-21-7-16-29-17-19-30(20-18-29)24-10-5-2-6-11-24/h1-6,8-15H,7,16-21H2,(H2,27,28,32)
InChIKey
OLWGZTWUYOCKEH-UHFFFAOYSA-N
Compound name
1-phenyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.21402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.22130 204.6
[M+Na]+ 469.20324 206.0
[M-H]- 445.20674 212.1
[M+NH4]+ 464.24784 209.4
[M+K]+ 485.17718 197.8
[M+H-H2O]+ 429.21128 192.0
[M+HCOO]- 491.21222 217.1
[M+CH3COO]- 505.22787 210.2
[M+Na-2H]- 467.18869 205.7
[M]+ 446.21347 200.6
[M]- 446.21457 200.6
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.