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 213.1
[M+Na]+ 533.13212 217.4
[M-H]- 509.13562 214.6
[M+NH4]+ 528.17672 217.8
[M+K]+ 549.10606 210.4
[M+H-H2O]+ 493.14016 205.2
[M+HCOO]- 555.14110 209.4
[M+CH3COO]- 569.15675 241.0
[M+Na-2H]- 531.11757 218.4
[M]+ 510.14235 214.8
[M]- 510.14345 214.8
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.