CID 77402

3773-37-3

Structural Information

Molecular Formula
C22H30N4O4S3
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)S(=O)(=O)C
InChI
InChI=1S/C22H30N4O4S3/c1-23(2)33(29,30)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)31-22)12-6-11-24-13-15-25(16-14-24)32(3,27)28/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKey
GCQSBCDRVDTMSX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-10-[3-(4-methylsulfonylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.1429 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.15018 207.7
[M+Na]+ 533.13212 216.9
[M+NH4]+ 528.17672 213.1
[M+K]+ 549.10606 206.9
[M-H]- 509.13562 209.4
[M+Na-2H]- 531.11757 211.9
[M]+ 510.14235 210.8
[M]- 510.14345 210.8
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.