CID 9588069

10h-phenothiazine, 10-(((1-phenylpropylidene)hydrazino)acetyl)-

Structural Information

Molecular Formula
C23H21N3OS
SMILES
CC/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC=CC=C4
InChI
InChI=1S/C23H21N3OS/c1-2-18(17-10-4-3-5-11-17)25-24-16-23(27)26-19-12-6-8-14-21(19)28-22-15-9-7-13-20(22)26/h3-15,24H,2,16H2,1H3/b25-18-
InChIKey
GEELIMCKSIATSR-BWAHOGKJSA-N
Compound name
1-phenothiazin-10-yl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14053 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.14781 188.6
[M+Na]+ 410.12975 193.5
[M-H]- 386.13325 195.4
[M+NH4]+ 405.17435 200.5
[M+K]+ 426.10369 186.9
[M+H-H2O]+ 370.13779 178.4
[M+HCOO]- 432.13873 203.6
[M+CH3COO]- 446.15438 197.1
[M+Na-2H]- 408.11520 193.6
[M]+ 387.13998 189.4
[M]- 387.14108 189.4
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.