CID 9429

Thioproperazine

Structural Information

Molecular Formula
C22H30N4O2S2
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKey
VZYCZNZBPPHOFY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

144
References

4750
Patents

446.18103 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18831 201.6
[M+Na]+ 469.17025 206.7
[M-H]- 445.17375 204.6
[M+NH4]+ 464.21485 209.4
[M+K]+ 485.14419 200.2
[M+H-H2O]+ 429.17829 192.1
[M+HCOO]- 491.17923 203.7
[M+CH3COO]- 505.19488 207.6
[M+Na-2H]- 467.15570 203.8
[M]+ 446.18048 203.0
[M]- 446.18158 203.0
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