CID 11509772

N-(2-chlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-propanamide

Structural Information

Molecular Formula
C20H16ClN5OS
SMILES
CC(C(=O)NC1=CC=CC=C1Cl)SC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H16ClN5OS/c1-13(19(27)22-17-11-5-4-10-16(17)21)28-20-23-24-25-26(20)18-12-6-8-14-7-2-3-9-15(14)18/h2-13H,1H3,(H,22,27)
InChIKey
GOCPMYMGANUBNG-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07642 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08370 191.7
[M+Na]+ 432.06564 202.0
[M-H]- 408.06914 198.0
[M+NH4]+ 427.11024 200.7
[M+K]+ 448.03958 193.8
[M+H-H2O]+ 392.07368 181.5
[M+HCOO]- 454.07462 202.0
[M+CH3COO]- 468.09027 200.9
[M+Na-2H]- 430.05109 194.0
[M]+ 409.07587 197.7
[M]- 409.07697 197.7
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.