CID 3057822

F 1523

Structural Information

Molecular Formula
C24H28N4OS
SMILES
CC(C)(C#CCN1CCN(CC1)C)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C24H28N4OS/c1-24(2,13-8-14-27-17-15-26(3)16-18-27)25-23(29)28-19-9-4-6-11-21(19)30-22-12-7-5-10-20(22)28/h4-7,9-12H,14-18H2,1-3H3,(H,25,29)
InChIKey
ANWSMDURSVUALT-UHFFFAOYSA-N
Compound name
N-[2-methyl-5-(4-methylpiperazin-1-yl)pent-3-yn-2-yl]phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1984 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20568 206.5
[M+Na]+ 443.18762 213.1
[M-H]- 419.19112 206.1
[M+NH4]+ 438.23222 213.1
[M+K]+ 459.16156 203.1
[M+H-H2O]+ 403.19566 190.5
[M+HCOO]- 465.19660 206.6
[M+CH3COO]- 479.21225 210.3
[M+Na-2H]- 441.17307 206.3
[M]+ 420.19785 198.1
[M]- 420.19895 198.1
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.