CID 9921244

Benzoylamidrazone hydrochloride

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CCC/C(=N/NC(=O)C1=CC=CC=C1OCC)/N
InChI
InChI=1S/C13H19N3O2/c1-3-7-12(14)15-16-13(17)10-8-5-6-9-11(10)18-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKey
CIAXQTAYCGXLSX-UHFFFAOYSA-N
Compound name
N-[(Z)-1-aminobutylideneamino]-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.14772 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 159.1
[M+Na]+ 272.136938 163.5
[M-H]- 248.140444 163.1
[M+NH4]+ 267.181543 175.7
[M+K]+ 288.110878 162.1
[M+H-H2O]+ 232.144980 151.2
[M+HCOO]- 294.145921 185.0
[M+CH3COO]- 308.161571 204.2
[M+Na-2H]- 270.122386 162.2
[M]+ 249.14717142 159.3
[M]- 249.14826858 159.3
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

patents stripe