CID 384819

Nsc675271

Structural Information

Molecular Formula
C17H15N3OS
SMILES
CC(=O)NC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2
InChI
InChI=1S/C17H15N3OS/c1-11(21)18-13-8-6-12(7-9-13)17-20-15-5-3-2-4-14(15)19-16(20)10-22-17/h2-9,17H,10H2,1H3,(H,18,21)
InChIKey
FLRZDVVHCZSOHW-UHFFFAOYSA-N
Compound name
N-[4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0936 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10088 169.8
[M+Na]+ 332.08282 180.4
[M-H]- 308.08632 177.2
[M+NH4]+ 327.12742 188.4
[M+K]+ 348.05676 175.0
[M+H-H2O]+ 292.09086 163.0
[M+HCOO]- 354.09180 187.6
[M+CH3COO]- 368.10745 182.0
[M+Na-2H]- 330.06827 171.5
[M]+ 309.09305 173.8
[M]- 309.09415 173.8
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.