CID 23405903

5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C11H13N3S
SMILES
CC(C)(C1=CC=CC=C1)C2=NN=C(S2)N
InChI
InChI=1S/C11H13N3S/c1-11(2,8-6-4-3-5-7-8)9-13-14-10(12)15-9/h3-7H,1-2H3,(H2,12,14)
InChIKey
PALMDNYJOLXCLN-UHFFFAOYSA-N
Compound name
5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

219.08302 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09030 148.4
[M+Na]+ 242.07224 160.4
[M+NH4]+ 237.11684 157.0
[M+K]+ 258.04618 154.1
[M-H]- 218.07574 151.6
[M+Na-2H]- 240.05769 156.1
[M]+ 219.08247 151.5
[M]- 219.08357 151.5
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