CID 16073174

2-[[3-[(4-chlorophenyl)methyl]-2-ethyl-5-nitro-imidazol-4-yl]-methyl-amino]ethanol

Structural Information

Molecular Formula
C15H19ClN4O3
SMILES
CCC1=NC(=C(N1CC2=CC=C(C=C2)Cl)N(C)CCO)[N+](=O)[O-]
InChI
InChI=1S/C15H19ClN4O3/c1-3-13-17-14(20(22)23)15(18(2)8-9-21)19(13)10-11-4-6-12(16)7-5-11/h4-7,21H,3,8-10H2,1-2H3
InChIKey
PZEGXLUDUXAFCI-UHFFFAOYSA-N
Compound name
2-[[3-[(4-chlorophenyl)methyl]-2-ethyl-5-nitroimidazol-4-yl]-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11456 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12184 178.4
[M+Na]+ 361.10378 185.3
[M-H]- 337.10728 182.8
[M+NH4]+ 356.14838 191.0
[M+K]+ 377.07772 176.9
[M+H-H2O]+ 321.11182 174.5
[M+HCOO]- 383.11276 197.0
[M+CH3COO]- 397.12841 207.5
[M+Na-2H]- 359.08923 181.2
[M]+ 338.11401 181.7
[M]- 338.11511 181.7
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.