CID 55741

87576-04-3

Structural Information

Molecular Formula
C16H24ClN3O2
SMILES
C1CCCN(CC1)CCNNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H24ClN3O2/c17-14-5-7-15(8-6-14)22-13-16(21)19-18-9-12-20-10-3-1-2-4-11-20/h5-8,18H,1-4,9-13H2,(H,19,21)
InChIKey
OVHSZVQDGVNYMR-UHFFFAOYSA-N
Compound name
N'-[2-(azepan-1-yl)ethyl]-2-(4-chlorophenoxy)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1557 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16298 174.6
[M+Na]+ 348.14492 176.6
[M-H]- 324.14842 179.1
[M+NH4]+ 343.18952 186.3
[M+K]+ 364.11886 177.3
[M+H-H2O]+ 308.15296 165.4
[M+HCOO]- 370.15390 189.6
[M+CH3COO]- 384.16955 209.9
[M+Na-2H]- 346.13037 176.9
[M]+ 325.15515 170.2
[M]- 325.15625 170.2
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.