CID 3365956

Ethanol, 2-((4,6-dinitro-1h-benzimidazol-5-yl)amino)-

Structural Information

Molecular Formula
C9H9N5O5
SMILES
C1=C2C(=C(C(=C1[N+](=O)[O-])NCCO)[N+](=O)[O-])N=CN2
InChI
InChI=1S/C9H9N5O5/c15-2-1-10-8-6(13(16)17)3-5-7(12-4-11-5)9(8)14(18)19/h3-4,10,15H,1-2H2,(H,11,12)
InChIKey
TZKMMJJOYDIWOF-UHFFFAOYSA-N
Compound name
2-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06036 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06764 149.6
[M+Na]+ 290.04958 155.8
[M-H]- 266.05308 150.2
[M+NH4]+ 285.09418 162.3
[M+K]+ 306.02352 144.4
[M+H-H2O]+ 250.05762 151.0
[M+HCOO]- 312.05856 173.0
[M+CH3COO]- 326.07421 182.6
[M+Na-2H]- 288.03503 161.3
[M]+ 267.05981 146.2
[M]- 267.06091 146.2
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.