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 210.4
[M+Na]+ 450.13772 219.0
[M-H]- 426.14122 212.6
[M+NH4]+ 445.18232 221.4
[M+K]+ 466.11166 210.0
[M+H-H2O]+ 410.14576 197.3
[M+HCOO]- 472.14670 213.2
[M+CH3COO]- 486.16235 235.7
[M+Na-2H]- 448.12317 210.5
[M]+ 427.14795 209.7
[M]- 427.14905 209.7
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.