CID 3048972

Crl 1752

Structural Information

Molecular Formula
C12H14Cl2N2O3
SMILES
CCOC(=O)CN=C(C(C1=CC(=C(C=C1)Cl)Cl)O)N
InChI
InChI=1S/C12H14Cl2N2O3/c1-2-19-10(17)6-16-12(15)11(18)7-3-4-8(13)9(14)5-7/h3-5,11,18H,2,6H2,1H3,(H2,15,16)
InChIKey
RYGHATUDJLFMKB-UHFFFAOYSA-N
Compound name
ethyl 2-[[1-amino-2-(3,4-dichlorophenyl)-2-hydroxyethylidene]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.03815 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04543 165.3
[M+Na]+ 327.02737 172.5
[M-H]- 303.03087 168.0
[M+NH4]+ 322.07197 180.9
[M+K]+ 343.00131 168.0
[M+H-H2O]+ 287.03541 160.7
[M+HCOO]- 349.03635 179.0
[M+CH3COO]- 363.05200 205.9
[M+Na-2H]- 325.01282 165.3
[M]+ 304.03760 168.8
[M]- 304.03870 168.8
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.