CID 3064413

L 1468

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
COC1=C(C=CC(=C1)C2=NN=C(S2)N)O
InChI
InChI=1S/C9H9N3O2S/c1-14-7-4-5(2-3-6(7)13)8-11-12-9(10)15-8/h2-4,13H,1H3,(H2,10,12)
InChIKey
BSPCBZUBIMXXLE-UHFFFAOYSA-N
Compound name
4-(5-amino-1,3,4-thiadiazol-2-yl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.04155 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04883 144.9
[M+Na]+ 246.03077 155.5
[M-H]- 222.03427 148.7
[M+NH4]+ 241.07537 162.2
[M+K]+ 262.00471 151.4
[M+H-H2O]+ 206.03881 137.8
[M+HCOO]- 268.03975 163.4
[M+CH3COO]- 282.05540 185.3
[M+Na-2H]- 244.01622 146.9
[M]+ 223.04100 146.9
[M]- 223.04210 146.9
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

patents stripe