CID 99135

60634-41-5

Structural Information

Molecular Formula
C20H23BrN2S
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Br
InChI
InChI=1S/C20H23BrN2S/c1-22-12-5-4-6-16(22)11-13-23-17-7-2-3-8-19(17)24-20-10-9-15(21)14-18(20)23/h2-3,7-10,14,16H,4-6,11-13H2,1H3
InChIKey
HGXSRQXHKMFKJM-UHFFFAOYSA-N
Compound name
2-bromo-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.07654 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08382 180.1
[M+Na]+ 425.06576 189.6
[M-H]- 401.06926 186.9
[M+NH4]+ 420.11036 195.1
[M+K]+ 441.03970 175.9
[M+H-H2O]+ 385.07380 178.3
[M+HCOO]- 447.07474 187.4
[M+CH3COO]- 461.09039 190.7
[M+Na-2H]- 423.05121 183.5
[M]+ 402.07599 196.7
[M]- 402.07709 196.7
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

patents stripe