CID 11524258

N-(2-chlorophenyl)-2-[1-(4-methyl-2-nitro-phenyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C16H13ClN6O3S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H13ClN6O3S/c1-10-6-7-13(14(8-10)23(25)26)22-16(19-20-21-22)27-9-15(24)18-12-5-3-2-4-11(12)17/h2-8H,9H2,1H3,(H,18,24)
InChIKey
DFJCVVPURIQCJP-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(4-methyl-2-nitrophenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.04584 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.05312 187.9
[M+Na]+ 427.03506 195.3
[M-H]- 403.03856 193.5
[M+NH4]+ 422.07966 194.9
[M+K]+ 443.00900 184.6
[M+H-H2O]+ 387.04310 182.1
[M+HCOO]- 449.04404 199.9
[M+CH3COO]- 463.05969 214.1
[M+Na-2H]- 425.02051 191.1
[M]+ 404.04529 190.4
[M]- 404.04639 190.4
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.