CID 3070149

Thiourea, n-ethyl-n'-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H32N4O2S
SMILES
CCNC(=S)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C23H32N4O2S/c1-3-24-23(30)25-19-9-11-20(12-10-19)29-18-6-13-26-14-16-27(17-15-26)21-7-4-5-8-22(21)28-2/h4-5,7-12H,3,6,13-18H2,1-2H3,(H2,24,25,30)
InChIKey
ABRURMXLFNJUSX-UHFFFAOYSA-N
Compound name
1-ethyl-3-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2246 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23188 202.6
[M+Na]+ 451.21382 204.6
[M-H]- 427.21732 207.7
[M+NH4]+ 446.25842 209.1
[M+K]+ 467.18776 198.3
[M+H-H2O]+ 411.22186 191.2
[M+HCOO]- 473.22280 215.0
[M+CH3COO]- 487.23845 230.9
[M+Na-2H]- 449.19927 201.8
[M]+ 428.22405 202.2
[M]- 428.22515 202.2
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.