CID 3046322

Brn 0684758

Structural Information

Molecular Formula
C10H14Cl2N4O3
SMILES
CC1=NC(=C(N1C)C(=O)N(CCCl)CCCl)[N+](=O)[O-]
InChI
InChI=1S/C10H14Cl2N4O3/c1-7-13-9(16(18)19)8(14(7)2)10(17)15(5-3-11)6-4-12/h3-6H2,1-2H3
InChIKey
HITKLEOFZSTUQM-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2,3-dimethyl-5-nitroimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.04428 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05156 163.1
[M+Na]+ 331.03350 174.3
[M+NH4]+ 326.07810 168.9
[M+K]+ 347.00744 173.3
[M-H]- 307.03700 163.7
[M+Na-2H]- 329.01895 166.0
[M]+ 308.04373 164.9
[M]- 308.04483 164.9
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.