CID 3021449

Brn 4589490

Structural Information

Molecular Formula
C25H24N2O2S
SMILES
CC1=CC(=C(C=C1)CNCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C)C
InChI
InChI=1S/C25H24N2O2S/c1-16-8-9-20(17(2)12-16)14-26-15-25(29)27-21-6-4-5-7-23(21)30-24-11-10-19(18(3)28)13-22(24)27/h4-13,26H,14-15H2,1-3H3
InChIKey
QUTWAILAKUEZJQ-UHFFFAOYSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2,4-dimethylphenyl)methylamino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.15585 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16313 198.9
[M+Na]+ 439.14507 213.8
[M+NH4]+ 434.18967 207.2
[M+K]+ 455.11901 202.7
[M-H]- 415.14857 204.8
[M+Na-2H]- 437.13052 205.9
[M]+ 416.15530 203.3
[M]- 416.15640 203.3
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.