CID 5275217

2-[1-(2-chloro-4-iodo-phenyl)tetrazol-5-yl]sulfanyl-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C15H10Cl2IN5OS
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)I)Cl)Cl
InChI
InChI=1S/C15H10Cl2IN5OS/c16-10-3-1-2-4-12(10)19-14(24)8-25-15-20-21-22-23(15)13-6-5-9(18)7-11(13)17/h1-7H,8H2,(H,19,24)
InChIKey
CJWJWIUIQQQTBJ-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-iodophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.90277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.91005 184.5
[M+Na]+ 527.89199 188.5
[M-H]- 503.89549 182.4
[M+NH4]+ 522.93659 189.6
[M+K]+ 543.86593 186.5
[M+H-H2O]+ 487.90003 171.7
[M+HCOO]- 549.90097 186.8
[M+CH3COO]- 563.91662 190.0
[M+Na-2H]- 525.87744 173.9
[M]+ 504.90222 187.4
[M]- 504.90332 187.4
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.