CID 3077096

N-(((1-phenyl-1h-tetrazol-5-yl)thio)acetyl)glycine

Structural Information

Molecular Formula
C11H11N5O3S
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC(=O)O
InChI
InChI=1S/C11H11N5O3S/c17-9(12-6-10(18)19)7-20-11-13-14-15-16(11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,17)(H,18,19)
InChIKey
JFWAUHPDWGYCOJ-UHFFFAOYSA-N
Compound name
2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.05826 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06554 162.6
[M+Na]+ 316.04748 170.3
[M-H]- 292.05098 163.5
[M+NH4]+ 311.09208 173.6
[M+K]+ 332.02142 166.3
[M+H-H2O]+ 276.05552 153.6
[M+HCOO]- 338.05646 177.2
[M+CH3COO]- 352.07211 197.0
[M+Na-2H]- 314.03293 164.2
[M]+ 293.05771 165.1
[M]- 293.05881 165.1
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.