CID 9588068

10-(((1-(3-((hydroxyimino)methyl)phenyl)ethylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C23H20N4O2S
SMILES
C/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC=CC(=C4)/C=N/O
InChI
InChI=1S/C23H20N4O2S/c1-16(18-8-6-7-17(13-18)14-25-29)26-24-15-23(28)27-19-9-2-4-11-21(19)30-22-12-5-3-10-20(22)27/h2-14,24,29H,15H2,1H3/b25-14+,26-16-
InChIKey
SWNAVHHELQKAOY-LMLHIRMHSA-N
Compound name
2-[(2Z)-2-[1-[3-[(E)-hydroxyiminomethyl]phenyl]ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1307 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13798 193.7
[M+Na]+ 439.11992 198.6
[M-H]- 415.12342 200.7
[M+NH4]+ 434.16452 204.2
[M+K]+ 455.09386 192.4
[M+H-H2O]+ 399.12796 183.5
[M+HCOO]- 461.12890 210.0
[M+CH3COO]- 475.14455 201.9
[M+Na-2H]- 437.10537 199.3
[M]+ 416.13015 195.0
[M]- 416.13125 195.0
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.