CID 5275088

N-(4-hydroxyphenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C19H15N5O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)O
InChI
InChI=1S/C19H15N5O2S/c25-15-10-8-14(9-11-15)20-18(26)12-27-19-21-22-23-24(19)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,25H,12H2,(H,20,26)
InChIKey
GOUOHPPWJUQFBC-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.09464 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10192 184.7
[M+Na]+ 400.08386 194.6
[M-H]- 376.08736 190.1
[M+NH4]+ 395.12846 193.4
[M+K]+ 416.05780 186.9
[M+H-H2O]+ 360.09190 174.7
[M+HCOO]- 422.09284 199.8
[M+CH3COO]- 436.10849 194.1
[M+Na-2H]- 398.06931 188.7
[M]+ 377.09409 188.3
[M]- 377.09519 188.3
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.