CID 3075428

Benzamide, n-(5-(2-(10h-phenothiazin-10-yl)ethyl)-1,3,4-thiodiazol-2-yl)-

Structural Information

Molecular Formula
C23H18N4OS2
SMILES
C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C23H18N4OS2/c28-22(16-8-2-1-3-9-16)24-23-26-25-21(30-23)14-15-27-17-10-4-6-12-19(17)29-20-13-7-5-11-18(20)27/h1-13H,14-15H2,(H,24,26,28)
InChIKey
XSQDSGOXENXGRQ-UHFFFAOYSA-N
Compound name
N-[5-(2-phenothiazin-10-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.0922 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09948 193.4
[M+Na]+ 453.08142 202.3
[M-H]- 429.08492 200.4
[M+NH4]+ 448.12602 203.4
[M+K]+ 469.05536 193.6
[M+H-H2O]+ 413.08946 184.8
[M+HCOO]- 475.09040 202.2
[M+CH3COO]- 489.10605 201.8
[M+Na-2H]- 451.06687 196.5
[M]+ 430.09165 195.9
[M]- 430.09275 195.9
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.