CID 2772302

5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C10H11N3S
SMILES
CC(C1=CC=CC=C1)C2=NN=C(S2)N
InChI
InChI=1S/C10H11N3S/c1-7(8-5-3-2-4-6-8)9-12-13-10(11)14-9/h2-7H,1H3,(H2,11,13)
InChIKey
KFYSQDMAJLTMTR-UHFFFAOYSA-N
Compound name
5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

205.06737 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07465 142.6
[M+Na]+ 228.05659 151.6
[M-H]- 204.06009 147.0
[M+NH4]+ 223.10119 160.9
[M+K]+ 244.03053 147.7
[M+H-H2O]+ 188.06463 135.0
[M+HCOO]- 250.06557 161.0
[M+CH3COO]- 264.08122 155.5
[M+Na-2H]- 226.04204 144.7
[M]+ 205.06682 142.7
[M]- 205.06792 142.7
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