CID 2734002

2818-66-8

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC2=C(C=C1N)NC(=S)N2
InChI
InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKey
BXDMTLVCACMNJO-UHFFFAOYSA-N
Compound name
5-amino-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

695
Patents

165.03607 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 129.1
[M+Na]+ 188.025288 141.2
[M-H]- 164.028794 129.4
[M+NH4]+ 183.069893 149.5
[M+K]+ 203.999228 134.9
[M+H-H2O]+ 148.033330 123.9
[M+HCOO]- 210.034271 146.5
[M+CH3COO]- 224.049921 142.6
[M+Na-2H]- 186.010736 134.0
[M]+ 165.03552142 127.7
[M]- 165.03661858 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe