CID 5275075

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

Structural Information

Molecular Formula
C19H14IN5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=CC=C4I
InChI
InChI=1S/C19H14IN5OS/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
KOOSDZAKHBVQAR-UHFFFAOYSA-N
Compound name
N-(2-iodophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.99637 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.00365 188.0
[M+Na]+ 509.98559 191.2
[M-H]- 485.98909 186.9
[M+NH4]+ 505.03019 192.9
[M+K]+ 525.95953 189.3
[M+H-H2O]+ 469.99363 174.1
[M+HCOO]- 531.99457 199.4
[M+CH3COO]- 546.01022 193.6
[M+Na-2H]- 507.97104 181.1
[M]+ 486.99582 189.0
[M]- 486.99692 189.0
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.