CID 63710125

5-(3,4-dihydro-2h-1-benzopyran-4-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C11H11N3OS
SMILES
C1COC2=CC=CC=C2C1C3=NN=C(S3)N
InChI
InChI=1S/C11H11N3OS/c12-11-14-13-10(16-11)8-5-6-15-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,12,14)
InChIKey
MDSGPZNCMYFUSM-UHFFFAOYSA-N
Compound name
5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.069566 147.1
[M+Na]+ 256.051508 156.5
[M-H]- 232.055014 152.7
[M+NH4]+ 251.096113 164.2
[M+K]+ 272.025448 153.2
[M+H-H2O]+ 216.059550 140.0
[M+HCOO]- 278.060491 162.8
[M+CH3COO]- 292.076141 159.7
[M+Na-2H]- 254.036956 151.1
[M]+ 233.06174142 146.8
[M]- 233.06283858 146.8
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.