CID 9588067

67897-42-1

Structural Information

Molecular Formula
C24H22N4O2S
SMILES
C/C(=N\NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC(=CC=C4)NC(=O)C
InChI
InChI=1S/C24H22N4O2S/c1-16(18-8-7-9-19(14-18)26-17(2)29)27-25-15-24(30)28-20-10-3-5-12-22(20)31-23-13-6-4-11-21(23)28/h3-14,25H,15H2,1-2H3,(H,26,29)/b27-16+
InChIKey
MBMKXWSTBSLRMH-JVWAILMASA-N
Compound name
N-[3-[(E)-C-methyl-N-[(2-oxo-2-phenothiazin-10-ylethyl)amino]carbonimidoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14636 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.153636 198.3
[M+Na]+ 453.135578 202.3
[M-H]- 429.139084 205.1
[M+NH4]+ 448.180183 208.1
[M+K]+ 469.109518 196.6
[M+H-H2O]+ 413.143620 188.1
[M+HCOO]- 475.144561 213.1
[M+CH3COO]- 489.160211 205.9
[M+Na-2H]- 451.121026 202.4
[M]+ 430.14581142 199.3
[M]- 430.14690858 199.3
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.