CID 3009827

1-(4-methoxyphenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]disulfanyl]piperazine

Structural Information

Molecular Formula
C22H30N4O2S2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)SSN3CCN(CC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H30N4O2S2/c1-27-21-7-3-19(4-8-21)23-11-15-25(16-12-23)29-30-26-17-13-24(14-18-26)20-5-9-22(28-2)10-6-20/h3-10H,11-18H2,1-2H3
InChIKey
RQXGUWISRFJRMX-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]disulfanyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

446.18103 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18831 200.9
[M+Na]+ 469.17025 204.7
[M-H]- 445.17375 205.5
[M+NH4]+ 464.21485 204.7
[M+K]+ 485.14419 197.1
[M+H-H2O]+ 429.17829 189.3
[M+HCOO]- 491.17923 202.4
[M+CH3COO]- 505.19488 206.0
[M+Na-2H]- 467.15570 197.8
[M]+ 446.18048 198.3
[M]- 446.18158 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe