CID 3070146

Brn 4581322

Structural Information

Molecular Formula
C22H30N4OS
SMILES
CCNC(=S)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H30N4OS/c1-2-23-22(28)24-19-9-11-21(12-10-19)27-18-6-13-25-14-16-26(17-15-25)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-18H2,1H3,(H2,23,24,28)
InChIKey
NBNGBVACRAADOE-UHFFFAOYSA-N
Compound name
1-ethyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.21402 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22130 194.6
[M+Na]+ 421.20324 196.4
[M-H]- 397.20674 199.5
[M+NH4]+ 416.24784 202.2
[M+K]+ 437.17718 189.6
[M+H-H2O]+ 381.21128 183.3
[M+HCOO]- 443.21222 207.2
[M+CH3COO]- 457.22787 224.6
[M+Na-2H]- 419.18869 194.8
[M]+ 398.21347 192.1
[M]- 398.21457 192.1
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.