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]+ 234.06957 147.1
[M+Na]+ 256.05151 156.5
[M-H]- 232.05501 152.7
[M+NH4]+ 251.09611 164.2
[M+K]+ 272.02545 153.2
[M+H-H2O]+ 216.05955 140.0
[M+HCOO]- 278.06049 162.8
[M+CH3COO]- 292.07614 159.7
[M+Na-2H]- 254.03696 151.1
[M]+ 233.06174 146.8
[M]- 233.06284 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.