CID 736364

765285-10-7

Structural Information

Molecular Formula
C16H12N4OS2
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC=NN4
InChI
InChI=1S/C16H12N4OS2/c21-15(9-22-16-17-10-18-19-16)20-11-5-1-3-7-13(11)23-14-8-4-2-6-12(14)20/h1-8,10H,9H2,(H,17,18,19)
InChIKey
ZYUVYTKCXIOVEZ-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

340.04526 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05254 170.5
[M+Na]+ 363.03448 180.9
[M-H]- 339.03798 172.5
[M+NH4]+ 358.07908 182.9
[M+K]+ 379.00842 173.2
[M+H-H2O]+ 323.04252 163.5
[M+HCOO]- 385.04346 176.6
[M+CH3COO]- 399.05911 179.9
[M+Na-2H]- 361.01993 173.2
[M]+ 340.04471 172.4
[M]- 340.04581 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe