CID 394302

Nsc697669

Structural Information

Molecular Formula
C10H12N4OS
SMILES
CNC(=O)NN1C2=CC=CC=C2N=C1SC
InChI
InChI=1S/C10H12N4OS/c1-11-9(15)13-14-8-6-4-3-5-7(8)12-10(14)16-2/h3-6H,1-2H3,(H2,11,13,15)
InChIKey
KLJBHHNXLGZCQM-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-methylsulfanylbenzimidazol-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07318 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08046 149.1
[M+Na]+ 259.06240 159.2
[M-H]- 235.06590 152.2
[M+NH4]+ 254.10700 167.7
[M+K]+ 275.03634 155.4
[M+H-H2O]+ 219.07044 142.0
[M+HCOO]- 281.07138 169.2
[M+CH3COO]- 295.08703 193.4
[M+Na-2H]- 257.04785 154.0
[M]+ 236.07263 153.1
[M]- 236.07373 153.1
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.