CID 3979168

Brn 0933709

Structural Information

Molecular Formula
C10H11N5O5
SMILES
CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCO)[N+](=O)[O-]
InChI
InChI=1S/C10H11N5O5/c1-5-12-6-4-7(14(17)18)9(11-2-3-16)10(15(19)20)8(6)13-5/h4,11,16H,2-3H2,1H3,(H,12,13)
InChIKey
JUEPUCRJOBVTTK-UHFFFAOYSA-N
Compound name
2-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07602 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08330 155.1
[M+Na]+ 304.06524 161.7
[M-H]- 280.06874 155.8
[M+NH4]+ 299.10984 167.5
[M+K]+ 320.03918 150.0
[M+H-H2O]+ 264.07328 156.5
[M+HCOO]- 326.07422 178.0
[M+CH3COO]- 340.08987 186.7
[M+Na-2H]- 302.05069 165.6
[M]+ 281.07547 152.3
[M]- 281.07657 152.3
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.