CID 3057818

F 1503

Structural Information

Molecular Formula
C23H26ClN3OS
SMILES
CCN(CC)CC#CC(C)(C)NC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C23H26ClN3OS/c1-5-26(6-2)15-9-14-23(3,4)25-22(28)27-18-10-7-8-11-20(18)29-21-13-12-17(24)16-19(21)27/h7-8,10-13,16H,5-6,15H2,1-4H3,(H,25,28)
InChIKey
PWFQDMZHLCTCTF-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(diethylamino)-2-methylpent-3-yn-2-yl]phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1485 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15578 200.3
[M+Na]+ 450.13772 211.8
[M+NH4]+ 445.18232 204.7
[M+K]+ 466.11166 198.9
[M-H]- 426.14122 195.7
[M+Na-2H]- 448.12317 201.8
[M]+ 427.14795 200.6
[M]- 427.14905 200.6
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.