CID 6751

Diacetazotol

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N(C(=O)C)C(=O)C)C
InChI
InChI=1S/C18H19N3O2/c1-12-7-5-6-8-17(12)20-19-16-9-10-18(13(2)11-16)21(14(3)22)15(4)23/h5-11H,1-4H3
InChIKey
YIEDSISPYKQADU-UHFFFAOYSA-N
Compound name
N-acetyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1539
Patents

309.14774 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 174.2
[M+Na]+ 332.13696 186.3
[M+NH4]+ 327.18156 181.3
[M+K]+ 348.11090 179.7
[M-H]- 308.14046 180.2
[M+Na-2H]- 330.12241 182.7
[M]+ 309.14719 177.4
[M]- 309.14829 177.4
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