CID 3042272

Brn 0926195

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N(C=N2)CCNC(=O)N
InChI
InChI=1S/C10H11N5O3/c11-10(16)12-3-4-14-6-13-8-2-1-7(15(17)18)5-9(8)14/h1-2,5-6H,3-4H2,(H3,11,12,16)
InChIKey
QHGGPFXOKMOHAN-UHFFFAOYSA-N
Compound name
2-(6-nitrobenzimidazol-1-yl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08618 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 148.2
[M+Na]+ 272.07540 155.6
[M-H]- 248.07890 150.6
[M+NH4]+ 267.12000 163.8
[M+K]+ 288.04934 148.8
[M+H-H2O]+ 232.08344 144.7
[M+HCOO]- 294.08438 173.8
[M+CH3COO]- 308.10003 190.7
[M+Na-2H]- 270.06085 157.2
[M]+ 249.08563 147.2
[M]- 249.08673 147.2
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.