CID 3070147

Brn 4607943

Structural Information

Molecular Formula
C27H32N4O2S
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4
InChI
InChI=1S/C27H32N4O2S/c1-32-26-11-6-5-10-25(26)31-19-17-30(18-20-31)16-7-21-33-24-14-12-23(13-15-24)29-27(34)28-22-8-3-2-4-9-22/h2-6,8-15H,7,16-21H2,1H3,(H2,28,29,34)
InChIKey
ODWKFCLUFMZQQC-UHFFFAOYSA-N
Compound name
1-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2246 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.23188 214.3
[M+Na]+ 499.21382 226.9
[M+NH4]+ 494.25842 220.9
[M+K]+ 515.18776 215.8
[M-H]- 475.21732 222.6
[M+Na-2H]- 497.19927 224.4
[M]+ 476.22405 218.8
[M]- 476.22515 218.8
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.