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 168.0
[M+Na]+ 331.03350 175.7
[M-H]- 307.03700 169.7
[M+NH4]+ 326.07810 182.9
[M+K]+ 347.00744 168.6
[M+H-H2O]+ 291.04154 166.1
[M+HCOO]- 353.04248 182.4
[M+CH3COO]- 367.05813 202.0
[M+Na-2H]- 329.01895 169.9
[M]+ 308.04373 172.6
[M]- 308.04483 172.6
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.