CID 457515

Brn 0730240

Structural Information

Molecular Formula
C24H30N4O2S2
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N4CCN(CC4)C
InChI
InChI=1S/C24H30N4O2S2/c1-25-11-15-27(16-12-25)23(29)19-7-3-5-9-21(19)31-32-22-10-6-4-8-20(22)24(30)28-17-13-26(2)14-18-28/h3-10H,11-18H2,1-2H3
InChIKey
FGESUPCJVKTCDB-UHFFFAOYSA-N
Compound name
[2-[[2-(4-methylpiperazine-1-carbonyl)phenyl]disulfanyl]phenyl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

470.18103 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18831 207.6
[M+Na]+ 493.17025 210.4
[M-H]- 469.17375 212.2
[M+NH4]+ 488.21485 210.2
[M+K]+ 509.14419 202.5
[M+H-H2O]+ 453.17829 196.4
[M+HCOO]- 515.17923 206.7
[M+CH3COO]- 529.19488 211.8
[M+Na-2H]- 491.15570 202.2
[M]+ 470.18048 203.3
[M]- 470.18158 203.3
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

patents stripe