CID 5275074

N-(2-bromophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C19H14BrN5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=CC=C4Br
InChI
InChI=1S/C19H14BrN5OS/c20-15-9-3-4-10-16(15)21-18(26)12-27-19-22-23-24-25(19)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,26)
InChIKey
SINICCNXZVNRBX-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.01025 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.01753 181.1
[M+Na]+ 461.99947 194.3
[M-H]- 438.00297 190.2
[M+NH4]+ 457.04407 192.7
[M+K]+ 477.97341 180.1
[M+H-H2O]+ 422.00751 178.7
[M+HCOO]- 484.00845 195.9
[M+CH3COO]- 498.02410 193.2
[M+Na-2H]- 459.98492 187.3
[M]+ 439.00970 203.7
[M]- 439.01080 203.7
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.