CID 3081363

Fentrazamide

Structural Information

Molecular Formula
C16H20ClN5O2
SMILES
CCN(C1CCCCC1)C(=O)N2C(=O)N(N=N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3
InChIKey
LLQPHQFNMLZJMP-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

30158
Patents

349.13055 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13783 178.3
[M+Na]+ 372.11977 190.7
[M+NH4]+ 367.16437 184.1
[M+K]+ 388.09371 186.5
[M-H]- 348.12327 181.3
[M+Na-2H]- 370.10522 185.3
[M]+ 349.13000 180.9
[M]- 349.13110 180.9
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

patents stripe