CID 3024442

Ucb 8

Structural Information

Molecular Formula
C21H27N3OS
SMILES
CCN(CC)CCN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C21H27N3OS/c1-4-23(5-2)15-14-22(3)16-21(25)24-17-10-6-8-12-19(17)26-20-13-9-7-11-18(20)24/h6-13H,4-5,14-16H2,1-3H3
InChIKey
PUNHUPBICADCPN-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl-methylamino]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18747 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19475 187.7
[M+Na]+ 392.17669 191.7
[M-H]- 368.18019 192.6
[M+NH4]+ 387.22129 201.6
[M+K]+ 408.15063 188.1
[M+H-H2O]+ 352.18473 178.2
[M+HCOO]- 414.18567 202.1
[M+CH3COO]- 428.20132 229.0
[M+Na-2H]- 390.16214 190.1
[M]+ 369.18692 192.4
[M]- 369.18802 192.4
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

No patent data available for this compound.