CID 1549158

Ambazone

Structural Information

Molecular Formula
C8H11N7S
SMILES
C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N
InChI
InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12H,(H2,11,16)(H4,9,10,14)
InChIKey
ANZIOUQAFBXNHU-UHFFFAOYSA-N
Compound name
[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

33
References

1708
Patents

237.07967 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.086946 147.3
[M+Na]+ 260.068888 151.9
[M-H]- 236.072394 153.4
[M+NH4]+ 255.113493 164.0
[M+K]+ 276.042828 149.7
[M+H-H2O]+ 220.076930 137.9
[M+HCOO]- 282.077871 174.1
[M+CH3COO]- 296.093521 212.0
[M+Na-2H]- 258.054336 151.3
[M]+ 237.07912142 142.9
[M]- 237.08021858 142.9
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