CID 3071304

(4-chlorophenoxy)acetic acid 2-(2-(tetrahydro-1,4,5-oxadiazepin-4(5h)-yl)ethyl)hydrazide hcl

Structural Information

Molecular Formula
C14H21ClN4O3
SMILES
C1COCCN(N1)CCNNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H21ClN4O3/c15-12-1-3-13(4-2-12)22-11-14(20)18-16-5-7-19-8-10-21-9-6-17-19/h1-4,16-17H,5-11H2,(H,18,20)
InChIKey
DJFWJEKTQHMFLZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N'-[2-(1,4,5-oxadiazepan-4-yl)ethyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13022 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13750 173.6
[M+Na]+ 351.11944 175.9
[M-H]- 327.12294 176.4
[M+NH4]+ 346.16404 181.9
[M+K]+ 367.09338 177.8
[M+H-H2O]+ 311.12748 162.8
[M+HCOO]- 373.12842 185.8
[M+CH3COO]- 387.14407 206.9
[M+Na-2H]- 349.10489 177.3
[M]+ 328.12967 169.0
[M]- 328.13077 169.0
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.