CID 5275183

Tetrazolyl compound, 26

Structural Information

Molecular Formula
C16H13Cl2N5OS
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C16H13Cl2N5OS/c1-10-6-7-14(12(18)8-10)23-16(20-21-22-23)25-9-15(24)19-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,19,24)
InChIKey
OAVCJJKGYHSXNC-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

393.0218 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.02908 185.3
[M+Na]+ 416.01102 196.2
[M-H]- 392.01452 190.3
[M+NH4]+ 411.05562 194.9
[M+K]+ 431.98496 188.2
[M+H-H2O]+ 376.01906 175.7
[M+HCOO]- 438.02000 191.4
[M+CH3COO]- 452.03565 194.7
[M+Na-2H]- 413.99647 184.6
[M]+ 393.02125 191.3
[M]- 393.02235 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.