CID 122845

7,8-dioxochlorpromazine

Structural Information

Molecular Formula
C17H17ClN2O2S
SMILES
CN(C)CCCN1C2=CC(=O)C(=O)C=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2O2S/c1-19(2)6-3-7-20-12-8-11(18)4-5-16(12)23-17-10-15(22)14(21)9-13(17)20/h4-5,8-10H,3,6-7H2,1-2H3
InChIKey
LKAIPUXDAHHJLG-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

348.06992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07720 175.3
[M+Na]+ 371.05914 186.6
[M-H]- 347.06264 181.2
[M+NH4]+ 366.10374 191.8
[M+K]+ 387.03308 180.5
[M+H-H2O]+ 331.06718 168.3
[M+HCOO]- 393.06812 187.8
[M+CH3COO]- 407.08377 217.1
[M+Na-2H]- 369.04459 179.1
[M]+ 348.06937 184.4
[M]- 348.07047 184.4
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