CID 9588154

(n,n-bis(hydroxy-2 ethyl)-formamidino)-3 (dichloro-2,6 benzyl)-5 oxadiazole-1,2,4 hcl

Structural Information

Molecular Formula
C14H16Cl2N4O3
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NC(=NO2)/N=C/N(CCO)CCO)Cl
InChI
InChI=1S/C14H16Cl2N4O3/c15-11-2-1-3-12(16)10(11)8-13-18-14(19-23-13)17-9-20(4-6-21)5-7-22/h1-3,9,21-22H,4-8H2/b17-9+
InChIKey
JWGZLVKWVVSDIU-RQZCQDPDSA-N
Compound name
N'-[5-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-bis(2-hydroxyethyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.05994 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06722 181.0
[M+Na]+ 381.04916 189.0
[M-H]- 357.05266 185.2
[M+NH4]+ 376.09376 192.3
[M+K]+ 397.02310 184.6
[M+H-H2O]+ 341.05720 172.4
[M+HCOO]- 403.05814 194.4
[M+CH3COO]- 417.07379 214.2
[M+Na-2H]- 379.03461 183.3
[M]+ 358.05939 188.0
[M]- 358.06049 188.0
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.