CID 17182

Dixyrazine

Structural Information

Molecular Formula
C24H33N3O2S
SMILES
CC(CN1CCN(CC1)CCOCCO)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3
InChIKey
MSYUMPGNGDNTIQ-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

77
References

1521
Patents

427.22934 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.23662 201.7
[M+Na]+ 450.21856 204.2
[M-H]- 426.22206 201.9
[M+NH4]+ 445.26316 208.6
[M+K]+ 466.19250 197.3
[M+H-H2O]+ 410.22660 190.6
[M+HCOO]- 472.22754 205.4
[M+CH3COO]- 486.24319 206.5
[M+Na-2H]- 448.20401 201.5
[M]+ 427.22879 201.1
[M]- 427.22989 201.1
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