CID 13680281

Brn 5602690

Structural Information

Molecular Formula
C12H16N4O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N(C=N2)CN(CCO)CCO
InChI
InChI=1S/C12H16N4O4/c17-5-3-14(4-6-18)9-15-8-13-11-2-1-10(16(19)20)7-12(11)15/h1-2,7-8,17-18H,3-6,9H2
InChIKey
HYJCBLIMFXJKGZ-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[(6-nitrobenzimidazol-1-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.11716 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.124436 158.4
[M+Na]+ 303.106378 164.8
[M-H]- 279.109884 159.5
[M+NH4]+ 298.150983 172.6
[M+K]+ 319.080318 158.3
[M+H-H2O]+ 263.114420 154.9
[M+HCOO]- 325.115361 181.4
[M+CH3COO]- 339.131011 193.6
[M+Na-2H]- 301.091826 166.5
[M]+ 280.11661142 160.1
[M]- 280.11770858 160.1
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.