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]+ 447.221296 204.6
[M+Na]+ 469.203238 206.0
[M-H]- 445.206744 212.1
[M+NH4]+ 464.247843 209.4
[M+K]+ 485.177178 197.8
[M+H-H2O]+ 429.211280 192.0
[M+HCOO]- 491.212221 217.1
[M+CH3COO]- 505.227871 210.2
[M+Na-2H]- 467.188686 205.7
[M]+ 446.21347142 200.6
[M]- 446.21456858 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.