CID 215906

36799-01-6

Structural Information

Molecular Formula
C25H27N3OS
SMILES
CN(CCC1=CC=CC=C1)CCN(C)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C25H27N3OS/c1-26(17-16-20-10-4-3-5-11-20)18-19-27(2)25(29)28-21-12-6-8-14-23(21)30-24-15-9-7-13-22(24)28/h3-15H,16-19H2,1-2H3
InChIKey
JSSBDHRAAIYHQZ-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.18747 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19475 199.2
[M+Na]+ 440.17669 202.9
[M-H]- 416.18019 206.9
[M+NH4]+ 435.22129 210.5
[M+K]+ 456.15063 197.9
[M+H-H2O]+ 400.18473 188.3
[M+HCOO]- 462.18567 213.6
[M+CH3COO]- 476.20132 207.2
[M+Na-2H]- 438.16214 202.4
[M]+ 417.18692 202.4
[M]- 417.18802 202.4
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.