CID 24841518

Ucb 9

Structural Information

Molecular Formula
C22H27N3OS
SMILES
CN(CCN1CCCCC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H27N3OS/c1-23(15-16-24-13-7-2-8-14-24)17-22(26)25-18-9-3-5-11-20(18)27-21-12-6-4-10-19(21)25/h3-6,9-12H,2,7-8,13-17H2,1H3
InChIKey
LGRXBTQMBAPWBD-UHFFFAOYSA-N
Compound name
2-[methyl(2-piperidin-1-ylethyl)amino]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

381.18747 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19475 188.1
[M+Na]+ 404.17669 200.5
[M+NH4]+ 399.22129 197.1
[M+K]+ 420.15063 189.9
[M-H]- 380.18019 193.6
[M+Na-2H]- 402.16214 194.7
[M]+ 381.18692 191.9
[M]- 381.18802 191.9
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