CID 3009826

1-(2-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]disulfanyl]piperazine

Structural Information

Molecular Formula
C22H30N4O2S2
SMILES
COC1=CC=CC=C1N2CCN(CC2)SSN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C22H30N4O2S2/c1-27-21-9-5-3-7-19(21)23-11-15-25(16-12-23)29-30-26-17-13-24(14-18-26)20-8-4-6-10-22(20)28-2/h3-10H,11-18H2,1-2H3
InChIKey
HRBJIHPNPMIMLP-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]disulfanyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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