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]+ 258.06958 154.9
[M+Na]+ 280.05152 164.9
[M-H]- 256.05502 160.1
[M+NH4]+ 275.09612 173.7
[M+K]+ 296.02546 159.8
[M+H-H2O]+ 240.05956 148.2
[M+HCOO]- 302.06050 174.3
[M+CH3COO]- 316.07615 167.5
[M+Na-2H]- 278.03697 157.7
[M]+ 257.06175 157.4
[M]- 257.06285 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.