CID 5275100

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

Structural Information

Molecular Formula
C25H18ClN5OS
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54)Cl
InChI
InChI=1S/C25H18ClN5OS/c26-21-15-19(17-7-2-1-3-8-17)13-14-22(21)27-24(32)16-33-25-28-29-30-31(25)23-12-6-10-18-9-4-5-11-20(18)23/h1-15H,16H2,(H,27,32)
InChIKey
WGLGVHJLEMUUGY-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-phenylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.09207 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.09935 208.6
[M+Na]+ 494.08129 219.1
[M-H]- 470.08479 217.7
[M+NH4]+ 489.12589 214.7
[M+K]+ 510.05523 209.0
[M+H-H2O]+ 454.08933 196.8
[M+HCOO]- 516.09027 219.3
[M+CH3COO]- 530.10592 216.8
[M+Na-2H]- 492.06674 211.0
[M]+ 471.09152 214.4
[M]- 471.09262 214.4
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.