CID 712430

14070-48-5

Structural Information

Molecular Formula
C9H9N5OS
SMILES
CC(=O)NC1=CC(=CC=C1)N2C(=S)N=NN2
InChI
InChI=1S/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)14-9(16)11-12-13-14/h2-5H,1H3,(H,10,15)(H,11,13,16)
InChIKey
SCWKACOBHZIKDI-UHFFFAOYSA-N
Compound name
N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1513
Patents

235.05278 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06006 149.9
[M+Na]+ 258.04200 160.3
[M-H]- 234.04550 151.3
[M+NH4]+ 253.08660 164.0
[M+K]+ 274.01594 154.9
[M+H-H2O]+ 218.05004 141.6
[M+HCOO]- 280.05098 165.6
[M+CH3COO]- 294.06663 161.4
[M+Na-2H]- 256.02745 152.1
[M]+ 235.05223 149.9
[M]- 235.05333 149.9
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

patents stripe