CID 5271196

Chembl263265

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C(=O)NN
InChI
InChI=1S/C18H25N3O3/c1-14-13-17(24-21-14)7-5-3-2-4-6-12-23-16-10-8-15(9-11-16)18(22)20-19/h8-11,13H,2-7,12,19H2,1H3,(H,20,22)
InChIKey
TZWWSBSEYWLMKA-UHFFFAOYSA-N
Compound name
4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

331.1896 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 181.3
[M+Na]+ 354.17882 185.9
[M-H]- 330.18232 186.4
[M+NH4]+ 349.22342 193.3
[M+K]+ 370.15276 183.2
[M+H-H2O]+ 314.18686 171.9
[M+HCOO]- 376.18780 204.1
[M+CH3COO]- 390.20345 213.8
[M+Na-2H]- 352.16427 182.8
[M]+ 331.18905 184.8
[M]- 331.19015 184.8
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