CID 16227481

924860-60-6

Structural Information

Molecular Formula
C13H11N3OS
SMILES
C1=CC=C2C(=C1)NC(=N2)C/C(=N/O)/C3=CC=CS3
InChI
InChI=1S/C13H11N3OS/c17-16-11(12-6-3-7-18-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-7,17H,8H2,(H,14,15)/b16-11-
InChIKey
RNXDQPRNNRNWSG-WJDWOHSUSA-N
Compound name
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0623 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.069576 154.9
[M+Na]+ 280.051518 164.9
[M-H]- 256.055024 160.1
[M+NH4]+ 275.096123 173.7
[M+K]+ 296.025458 159.8
[M+H-H2O]+ 240.059560 148.2
[M+HCOO]- 302.060501 174.3
[M+CH3COO]- 316.076151 167.5
[M+Na-2H]- 278.036966 157.7
[M]+ 257.06175142 157.4
[M]- 257.06284858 157.4
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.