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 188.3
[M+Na]+ 404.17669 191.1
[M-H]- 380.18019 192.7
[M+NH4]+ 399.22129 199.3
[M+K]+ 420.15063 185.7
[M+H-H2O]+ 364.18473 177.6
[M+HCOO]- 426.18567 196.9
[M+CH3COO]- 440.20132 195.4
[M+Na-2H]- 402.16214 190.0
[M]+ 381.18692 186.4
[M]- 381.18802 186.4
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